cif
stringlengths 674
4.09k
| formula
stringlengths 1
20
| spacegroup
stringlengths 2
10
| spacegroup_number
int64 1
230
| crystal_system
stringclasses 7
values | pointgroup
stringlengths 1
5
| density
float64 91.6
41.4k
| is_longer_than_allowed
bool 2
classes |
|---|---|---|---|---|---|---|---|
[CIF]
data_HgOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.88832443
_cell_length_b 2.88832443
_cell_length_c 8.62590325
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HgOs
_chemical_formula_sum 'Hg2 Os2'
_cell_volume 71.96089071
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg Hg0 1 1.44416222 0.00000000 5.62170869 1
Hg Hg1 1 0.00000000 1.44416222 3.00419456 1
Os Os2 1 1.44416222 0.00000000 0.79747424 1
Os Os3 1 0.00000000 1.44416222 7.82842900 1
[/CIF]
| Hg2Os2 | P4/nmm | 129 | tetragonal | 4/mmm | 18,036.812758 | false |
[CIF]
data_NaC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.83503439
_cell_length_b 6.83503439
_cell_length_c 2.63205315
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 149.84800105
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaC
_chemical_formula_sum 'Na2 C2'
_cell_volume 61.76401565
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.77779286 -0.21143781 0.65801329 1
C C1 1 1.77779286 0.21143781 1.97403986 1
Na Na2 1 1.77779286 -4.81954487 0.65801329 1
Na Na3 1 1.77779286 4.81954487 1.97403986 1
[/CIF]
| C2Na2 | Cmcm | 63 | orthorhombic | mmm | 1,881.99054 | false |
[CIF]
data_AlOsPb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.10763540
_cell_length_b 5.10763540
_cell_length_c 5.10763540
_cell_angle_alpha 125.78680263
_cell_angle_beta 125.78680263
_cell_angle_gamma 80.23882745
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlOsPb2
_chemical_formula_sum 'Al1 Os1 Pb2'
_cell_volume 84.61948150
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 0.00000000 0.00000000 0.00000000 1
Os Os1 1 0.00000000 0.00000000 3.90582466 1
Pb Pb2 1 -0.00000000 2.32728094 1.95291233 1
Pb Pb3 1 2.32728094 0.00000000 1.95291233 1
[/CIF]
| AlOsPb2 | I4/mmm | 139 | tetragonal | 4/mmm | 12,394.493753 | false |
[CIF]
data_La2MnTl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22850939
_cell_length_b 4.22850939
_cell_length_c 8.00997927
_cell_angle_alpha 95.73603226
_cell_angle_beta 95.73603226
_cell_angle_gamma 49.91338027
_symmetry_Int_Tables_number 1
_chemical_formula_structural La2MnTl
_chemical_formula_sum 'La2 Mn1 Tl1'
_cell_volume 108.90632849
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
La La0 1 5.62552721 0.00000000 1.54016471 1
La La1 1 1.15882345 0.00000000 6.42099474 1
Mn Mn2 1 0.00000000 0.00000000 0.00000000 1
Tl Tl3 1 3.39217533 -0.00000000 3.98057973 1
[/CIF]
| La2MnTl | C2/m | 12 | monoclinic | 2/m | 8,189.874322 | false |
[CIF]
data_LaV2Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.17378924
_cell_length_b 9.17378924
_cell_length_c 9.17378924
_cell_angle_alpha 18.52857739
_cell_angle_beta 18.52857739
_cell_angle_gamma 18.52857739
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaV2Co
_chemical_formula_sum 'La1 V2 Co1'
_cell_volume 68.10690320
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Co Co0 1 0.00000000 -0.00000000 14.00384812 1
La La1 1 -0.00000000 -0.00000000 20.38529412 1
V V2 1 -0.00000000 -0.00000000 26.59778973 1
V V3 1 -0.00000000 -0.00000000 6.61723364 1
[/CIF]
| CoLaV2 | R3m | 160 | trigonal | 3m | 7,307.622424 | false |
[CIF]
data_Ta2PdRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.84531980
_cell_length_b 2.84531980
_cell_length_c 8.00006229
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ta2PdRh
_chemical_formula_sum 'Ta2 Pd1 Rh1'
_cell_volume 64.76726240
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pd Pd0 1 0.00000000 0.00000000 4.00003115 1
Rh Rh1 1 0.00000000 0.00000000 0.00000000 1
Ta Ta2 1 1.42265990 1.42265990 1.93926398 1
Ta Ta3 1 1.42265990 1.42265990 6.06079831 1
[/CIF]
| PdRhTa2 | P4/mmm | 123 | tetragonal | 4/mmm | 14,645.288108 | false |
[CIF]
data_Ni4GeSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.88205110
_cell_length_b 4.88205110
_cell_length_c 4.88205110
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ni4GeSb
_chemical_formula_sum 'Ni4 Ge1 Sb1'
_cell_volume 82.27956085
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ge Ge0 1 0.00000000 0.00000000 0.00000000 1
Ni Ni1 1 4.31857873 4.31857873 2.58568415 1
Ni Ni2 1 4.31857873 2.58568415 4.31857873 1
Ni Ni3 1 2.58568415 4.31857873 4.31857873 1
Ni Ni4 1 2.58568415 2.58568415 2.58568415 1
Sb Sb5 1 5.17819716 5.17819716 5.17819716 1
[/CIF]
| GeNi4Sb | F-43m | 216 | cubic | -43m | 8,661.440603 | false |
[CIF]
data_V2SiAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.73483998
_cell_length_b 2.73483998
_cell_length_c 7.53430355
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V2SiAu
_chemical_formula_sum 'V2 Si1 Au1'
_cell_volume 56.35169112
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 0.00000000 0.00000000 3.76715177 1
Si Si1 1 0.00000000 0.00000000 0.00000000 1
V V2 1 1.36741999 1.36741999 1.66871503 1
V V3 1 1.36741999 1.36741999 5.86558852 1
[/CIF]
| AuSiV2 | P4/mmm | 123 | tetragonal | 4/mmm | 9,633.933668 | false |
[CIF]
data_SnPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70791899
_cell_length_b 5.78822695
_cell_length_c 4.93260908
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SnPt3
_chemical_formula_sum 'Sn2 Pt6'
_cell_volume 134.41608138
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pt Pt0 1 2.35395950 0.00000000 3.43962586 1
Pt Pt1 1 0.00000000 1.44922929 4.00705747 1
Pt Pt2 1 2.35395950 1.44488418 0.92555161 1
Pt Pt3 1 0.00000000 2.89411348 1.49298322 1
Pt Pt4 1 0.00000000 4.33899766 4.00705747 1
Pt Pt5 1 2.35395950 4.34334277 0.92555161 1
Sn Sn6 1 0.00000000 0.00000000 1.54688594 1
Sn Sn7 1 2.35395950 2.89411348 3.38572314 1
[/CIF]
| Pt6Sn2 | Pmmn | 59 | orthorhombic | mmm | 17,393.103421 | false |
[CIF]
data_HfNbGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52231736
_cell_length_b 4.52231736
_cell_length_c 4.52231736
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfNbGe
_chemical_formula_sum 'Hf1 Nb1 Ge1'
_cell_volume 65.39854864
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ge Ge0 1 0.00000000 0.00000000 0.00000000 1
Hf Hf1 1 3.19776127 3.19776127 3.19776127 1
Nb Nb2 1 1.59888063 1.59888063 1.59888063 1
[/CIF]
| GeHfNb | F-43m | 216 | cubic | -43m | 8,735.451493 | false |
[CIF]
data_SrCoPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.07213836
_cell_length_b 4.47834230
_cell_length_c 5.73202223
_cell_angle_alpha 90.00000000
_cell_angle_beta 98.75960782
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrCoPd2
_chemical_formula_sum 'Sr1 Co1 Pd2'
_cell_volume 77.94181820
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Co Co0 1 0.10305230 0.00000000 4.88176788 1
Pd Pd1 1 1.92069476 2.23917115 5.34097989 1
Pd Pd2 1 2.50804858 0.00000000 1.31610067 1
Sr Sr3 1 0.96623871 2.23917115 2.62406118 1
[/CIF]
| CoPd2Sr | Pm | 6 | monoclinic | m | 7,656.819591 | false |
[CIF]
data_WSBr4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.45984500
_cell_length_b 6.48174900
_cell_length_c 13.65462499
_cell_angle_alpha 90.00000000
_cell_angle_beta 110.64093806
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural WSBr4
_chemical_formula_sum 'W4 S4 Br16'
_cell_volume 866.33117894
_cell_formula_units_Z 4
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
W W0 1 3.36146216 0.43690229 12.23913827 1
W W1 1 2.28498584 6.04484671 0.53896773 1
W W2 1 -0.12171266 3.67777679 6.92802073 1
W W3 1 5.76816066 2.80397221 5.85008527 1
S S4 1 3.93739603 4.77360720 0.27665877 1
S S5 1 1.53069753 4.94901630 6.66571177 1
S S6 1 4.11575047 1.53273270 6.11239423 1
S S7 1 1.70905197 1.70814180 12.50144723 1
Br Br8 1 6.92596310 1.80617825 3.92211186 1
Br Br9 1 -2.24174672 1.23233605 11.52113649 1
Br Br10 1 -4.21846202 4.93402401 11.86582590 1
Br Br11 1 4.51926460 1.43469625 10.31116486 1
Br Br12 1 2.50396790 5.19701449 10.68344220 1
Br Br13 1 0.73578160 1.95613999 8.48371680 1
Br Br14 1 9.86491002 1.54772499 0.91228010 1
Br Br15 1 -1.81176352 4.78859949 5.47677290 1
Br Br16 1 0.16495178 2.00853845 5.13208349 1
Br Br17 1 1.12718340 5.04705275 2.46694114 1
Br Br18 1 4.91066640 4.52560901 4.29438920 1
Br Br19 1 -1.27951510 4.67557075 8.85599414 1
Br Br20 1 7.88819472 5.24941295 1.25696951 1
Br Br21 1 5.48149622 4.47321055 7.64602251 1
Br Br22 1 3.14248010 1.28473451 2.09466380 1
Br Br23 1 7.45821152 1.69314951 7.30133310 1
[/CIF]
| Br16S4W4 | P2_1/c | 14 | monoclinic | 2/m | 4,105.836489 | false |
[CIF]
data_La2TbW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34117491
_cell_length_b 5.34117491
_cell_length_c 5.34117491
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural La2TbW
_chemical_formula_sum 'La2 Tb1 W1'
_cell_volume 107.74457278
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
La La0 1 5.66517150 5.66517150 5.66517150 1
La La1 1 1.88839050 1.88839050 1.88839050 1
Tb Tb2 1 -0.00000000 0.00000000 0.00000000 1
W W3 1 3.77678100 3.77678100 3.77678100 1
[/CIF]
| La2TbW | Fm-3m | 225 | cubic | m-3m | 9,564.204922 | false |
[CIF]
data_Tm2CuPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84437866
_cell_length_b 4.84437866
_cell_length_c 4.84437866
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tm2CuPt
_chemical_formula_sum 'Tm2 Cu1 Pt1'
_cell_volume 80.38948543
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Tm Tm0 1 5.13823950 5.13823950 5.13823950 1
Tm Tm1 1 1.71274650 1.71274650 1.71274650 1
Cu Cu2 1 0.00000000 0.00000000 0.00000000 1
Pt Pt3 1 3.42549300 3.42549300 3.42549300 1
[/CIF]
| CuPtTm2 | Fm-3m | 225 | cubic | m-3m | 12,321.374173 | false |
[CIF]
data_SrBeIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.55527088
_cell_length_b 4.55527088
_cell_length_c 4.55527088
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrBeIr
_chemical_formula_sum 'Sr1 Be1 Ir1'
_cell_volume 66.83864313
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Be Be0 1 0.00000000 0.00000000 0.00000000 1
Ir Ir1 1 4.83159440 4.83159440 4.83159440 1
Sr Sr2 1 3.22106293 3.22106293 3.22106293 1
[/CIF]
| BeIrSr | F-43m | 216 | cubic | -43m | 7,176.168285 | false |
[CIF]
data_ZrCoBiPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70593759
_cell_length_b 4.70593759
_cell_length_c 4.70593759
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZrCoBiPd
_chemical_formula_sum 'Zr1 Co1 Bi1 Pd1'
_cell_volume 73.69253414
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Bi Bi0 1 1.66380019 1.66380019 1.66380019 1
Co Co1 1 0.00000000 0.00000000 0.00000000 1
Pd Pd2 1 4.99140057 4.99140057 4.99140057 1
Zr Zr3 1 3.32760038 3.32760038 3.32760038 1
[/CIF]
| BiCoPdZr | F-43m | 216 | cubic | -43m | 10,490.568458 | false |
[CIF]
data_Tc2GeAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.23757371
_cell_length_b 4.23757371
_cell_length_c 5.22530509
_cell_angle_alpha 101.47733235
_cell_angle_beta 101.47733235
_cell_angle_gamma 41.33882805
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tc2GeAs
_chemical_formula_sum 'Tc2 Ge1 As1'
_cell_volume 60.55859499
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 3.40918135 0.00000000 2.55288617 1
Ge Ge1 1 0.00000000 0.00000000 0.00000000 1
Tc Tc2 1 1.17688291 0.00000000 3.75734599 1
Tc Tc3 1 5.64147978 -0.00000000 1.34842636 1
[/CIF]
| AsGeTc2 | C2/m | 12 | monoclinic | 2/m | 9,470.282785 | false |
[CIF]
data_CuF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32784954
_cell_length_b 4.32784954
_cell_length_c 4.32784954
_cell_angle_alpha 138.92718305
_cell_angle_beta 138.92718305
_cell_angle_gamma 59.48590067
_symmetry_Int_Tables_number 1
_chemical_formula_structural CuF3
_chemical_formula_sum 'Cu1 F3'
_cell_volume 34.64587852
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu Cu0 1 0.00000000 -0.00000000 3.75769804 1
F F1 1 1.51822051 0.00000000 1.87884902 1
F F2 1 0.00000000 1.51822051 1.87884902 1
F F3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| CuF3 | I4/mmm | 139 | tetragonal | 4/mmm | 5,777.408345 | false |
[CIF]
data_LiTcMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.38437647
_cell_length_b 4.38437647
_cell_length_c 2.59263534
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiTcMo
_chemical_formula_sum 'Li1 Tc1 Mo1'
_cell_volume 43.16062688
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Li Li0 1 0.00000000 0.00000000 2.58408172 1
Mo Mo1 1 -0.00000000 2.53132093 0.95100216 1
Tc Tc2 1 2.19218823 1.26566047 1.65018680 1
[/CIF]
| LiMoTc | P3m1 | 156 | trigonal | 3m | 7,764.223182 | false |
[CIF]
data_Hf2TlRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.83353243
_cell_length_b 4.83353243
_cell_length_c 4.83353243
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf2TlRh
_chemical_formula_sum 'Hf2 Tl1 Rh1'
_cell_volume 79.85073410
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hf Hf0 1 5.12673534 5.12673534 5.12673534 1
Hf Hf1 1 1.70891178 1.70891178 1.70891178 1
Rh Rh2 1 0.00000000 0.00000000 0.00000000 1
Tl Tl3 1 3.41782356 3.41782356 3.41782356 1
[/CIF]
| Hf2RhTl | Fm-3m | 225 | cubic | m-3m | 13,813.827831 | false |
[CIF]
data_PIr2Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.51127799
_cell_length_b 4.51127799
_cell_length_c 4.51127799
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural PIr2Br
_chemical_formula_sum 'P1 Ir2 Br1'
_cell_volume 64.92078637
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Br Br0 1 4.78493289 4.78493289 4.78493289 1
Ir Ir1 1 1.59497763 1.59497763 1.59497763 1
Ir Ir2 1 3.18995526 3.18995526 3.18995526 1
P P3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| BrIr2P | F-43m | 216 | cubic | -43m | 12,669.047573 | false |
[CIF]
data_NbMo3I
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79432463
_cell_length_b 4.79432463
_cell_length_c 4.79432463
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbMo3I
_chemical_formula_sum 'Nb1 Mo3 I1'
_cell_volume 110.20018206
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
I I0 1 2.39716232 2.39716232 2.39716232 1
Mo Mo1 1 2.39716232 0.00000000 2.39716232 1
Mo Mo2 1 2.39716232 2.39716232 0.00000000 1
Mo Mo3 1 0.00000000 2.39716232 2.39716232 1
Nb Nb4 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| IMo3Nb | Pm-3m | 221 | cubic | m-3m | 7,650.082553 | false |
[CIF]
data_BeNiPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.92381684
_cell_length_b 4.92381684
_cell_length_c 4.20972398
_cell_angle_alpha 114.45112539
_cell_angle_beta 114.45112539
_cell_angle_gamma 32.42349006
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeNiPd2
_chemical_formula_sum 'Be1 Ni1 Pd2'
_cell_volume 49.37704056
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Be Be0 1 3.75372417 0.00000000 1.90978791 1
Ni Ni1 1 6.91646565 0.00000000 1.06106549 1
Pd Pd2 1 0.02460581 0.00000000 0.01933099 1
Pd Pd3 1 0.76734202 0.00000000 2.70762181 1
[/CIF]
| BeNiPd2 | Cm | 8 | monoclinic | m | 9,434.686518 | false |
[CIF]
data_TcOs2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.88397847
_cell_length_b 4.88397847
_cell_length_c 2.93750167
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 109.25076129
_symmetry_Int_Tables_number 1
_chemical_formula_structural TcOs2Pb
_chemical_formula_sum 'Tc1 Os2 Pb1'
_cell_volume 66.15101854
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Os Os0 1 1.41371649 1.99115974 1.46875084 1
Os Os1 1 1.41371649 -1.99115974 1.46875084 1
Pb Pb2 1 2.82743298 -0.00000000 0.00000000 1
Tc Tc3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Os2PbTc | Cmmm | 65 | orthorhombic | mmm | 17,234.352881 | false |
[CIF]
data_In2SbMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99936515
_cell_length_b 4.99936515
_cell_length_c 4.99936515
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural In2SbMo
_chemical_formula_sum 'In2 Sb1 Mo1'
_cell_volume 88.35468398
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
In In0 1 5.30262750 5.30262750 5.30262750 1
In In1 1 1.76754250 1.76754250 1.76754250 1
Mo Mo2 1 0.00000000 0.00000000 0.00000000 1
Sb Sb3 1 3.53508500 3.53508500 3.53508500 1
[/CIF]
| In2MoSb | Fm-3m | 225 | cubic | m-3m | 8,407.614415 | false |
[CIF]
data_SrHfZnAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03966730
_cell_length_b 5.03966730
_cell_length_c 5.03966730
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrHfZnAg
_chemical_formula_sum 'Sr1 Hf1 Zn1 Ag1'
_cell_volume 90.50875727
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 5.34537438 5.34537438 5.34537438 1
Hf Hf1 1 3.56358292 3.56358292 3.56358292 1
Sr Sr2 1 1.78179146 1.78179146 1.78179146 1
Zn Zn3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AgHfSrZn | F-43m | 216 | cubic | -43m | 8,060.783038 | false |
[CIF]
data_RePdRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19489397
_cell_length_b 4.19489397
_cell_length_c 4.19489397
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural RePdRh
_chemical_formula_sum 'Re1 Pd1 Rh1'
_cell_volume 52.19729116
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pd Pd0 1 1.48311898 1.48311898 1.48311898 1
Re Re1 1 4.44935695 4.44935696 4.44935696 1
Rh Rh2 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| PdReRh | F-43m | 216 | cubic | -43m | 12,582.974209 | false |
[CIF]
data_FeNiMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.91475892
_cell_length_b 3.91475892
_cell_length_c 3.91475892
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeNiMo
_chemical_formula_sum 'Fe1 Ni1 Mo1'
_cell_volume 42.42287230
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe Fe0 1 0.00000000 0.00000000 0.00000000 1
Mo Mo1 1 2.76815258 2.76815258 2.76815258 1
Ni Ni2 1 4.15222887 4.15222887 4.15222887 1
[/CIF]
| FeMoNi | F-43m | 216 | cubic | -43m | 8,239.442492 | false |
[CIF]
data_ZrBi2P
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.77664206
_cell_length_b 5.01977261
_cell_length_c 5.10555091
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZrBi2P
_chemical_formula_sum 'Zr1 Bi2 P1'
_cell_volume 96.79044380
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Bi Bi0 1 1.88832103 0.00000000 2.55277546 1
Bi Bi1 1 0.00000000 2.50988631 2.55277546 1
P P2 1 0.00000000 0.00000000 0.00000000 1
Zr Zr3 1 1.88832103 2.50988631 0.00000000 1
[/CIF]
| Bi2PZr | Pmmm | 47 | orthorhombic | mmm | 9,266.972638 | false |
[CIF]
data_Ba2VCr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.42283819
_cell_length_b 3.42283819
_cell_length_c 9.75499755
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ba2VCr
_chemical_formula_sum 'Ba2 V1 Cr1'
_cell_volume 114.28780783
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba Ba0 1 1.71141909 1.71141909 8.99501496 1
Ba Ba1 1 0.00000000 0.00000000 3.21920801 1
Cr Cr2 1 1.71141909 1.71141909 5.74819903 1
V V3 1 0.00000000 0.00000000 6.42507197 1
[/CIF]
| Ba2CrV | P4mm | 99 | tetragonal | 4mm | 5,486.198527 | false |
[CIF]
data_Mn2Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24938663
_cell_length_b 5.24938663
_cell_length_c 6.86500449
_cell_angle_alpha 98.66606434
_cell_angle_beta 98.66606434
_cell_angle_gamma 34.53836655
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn2Cl
_chemical_formula_sum 'Mn4 Cl2'
_cell_volume 105.90928073
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cl Cl0 1 9.46152270 0.00000000 0.19652346 1
Cl Cl1 1 6.81362749 0.00000000 1.79736872 1
Mn Mn2 1 2.68500882 0.00000000 4.66514212 1
Mn Mn3 1 3.84396618 0.00000000 2.27085343 1
Mn Mn4 1 -0.09331035 0.00000000 4.20968631 1
Mn Mn5 1 5.96746938 0.00000000 6.06761053 1
[/CIF]
| Cl2Mn4 | Cm | 8 | monoclinic | m | 4,557.195173 | false |
[CIF]
data_TiAlW2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.74538433
_cell_length_b 4.48561441
_cell_length_c 5.27554328
_cell_angle_alpha 90.00000000
_cell_angle_beta 100.41640971
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiAlW2
_chemical_formula_sum 'Ti1 Al1 W2'
_cell_volume 63.89624778
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 0.00000000 0.00000000 0.00000000 1
Ti Ti1 1 0.89578085 0.00000000 2.59430045 1
W W2 1 -0.05094839 2.24280721 3.86216642 1
W W3 1 1.84251009 2.24280721 1.32643448 1
[/CIF]
| AlTiW2 | P2/m | 10 | monoclinic | 2/m | 11,500.455065 | false |
[CIF]
data_AlCd2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.25444479
_cell_length_b 6.25444479
_cell_length_c 6.25444479
_cell_angle_alpha 153.54170009
_cell_angle_beta 137.21079352
_cell_angle_gamma 51.01501458
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlCd2Ni
_chemical_formula_sum 'Al1 Cd2 Ni1'
_cell_volume 73.73485829
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 0.00000000 0.00000000 7.73611193 1
Cd Cd1 1 0.00000000 2.28155319 5.62687989 1
Cd Cd2 1 0.00000000 -0.00000000 3.41035196 1
Ni Ni3 1 -0.00000000 2.28155319 0.16110714 1
[/CIF]
| AlCd2Ni | Imm2 | 44 | orthorhombic | mm2 | 6,992.788422 | false |
[CIF]
data_Sr2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.16879582
_cell_length_b 7.30377608
_cell_length_c 4.49252054
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr2Pd
_chemical_formula_sum 'Sr4 Pd2'
_cell_volume 235.22513831
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pd Pd0 1 0.00000000 0.00000000 0.00000000 1
Pd Pd1 1 3.58439791 3.65188804 2.24626027 1
Sr Sr2 1 1.88388405 2.43023450 0.00000000 1
Sr Sr3 1 1.70051386 6.08212254 2.24626027 1
Sr Sr4 1 5.46828196 1.22165354 2.24626027 1
Sr Sr5 1 5.28491177 4.87354158 0.00000000 1
[/CIF]
| Pd2Sr4 | Pnnm | 58 | orthorhombic | mmm | 3,976.678997 | false |
[CIF]
data_CeAl(CuNi)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.96945900
_cell_length_b 5.15297433
_cell_length_c 5.15297433
_cell_angle_alpha 60.30726784
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CeAl(CuNi)2
_chemical_formula_sum 'Ce1 Al1 Cu2 Ni2'
_cell_volume 91.56179070
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ce Ce0 1 0.00000000 -0.00000000 0.02080803 1
Al Al1 1 0.00000000 0.00000000 5.98701079 1
Cu Cu2 1 0.00000000 -0.00000000 2.95997193 1
Cu Cu3 1 1.98472950 -0.00000000 4.42906376 1
Ni Ni4 1 1.98472950 1.29835057 6.66380661 1
Ni Ni5 1 1.98472950 -1.29835057 6.66380661 1
[/CIF]
| AlCeCu2Ni2 | Amm2 | 38 | orthorhombic | mm2 | 7,464.23354 | false |
[CIF]
data_NaInSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13318345
_cell_length_b 5.13318345
_cell_length_c 5.13318345
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaInSe
_chemical_formula_sum 'Na1 In1 Se1'
_cell_volume 95.64127554
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
In In0 1 3.62970883 3.62970883 3.62970883 1
Na Na1 1 0.00000000 0.00000000 0.00000000 1
Se Se2 1 5.44456325 5.44456325 5.44456325 1
[/CIF]
| InNaSe | F-43m | 216 | cubic | -43m | 3,763.556553 | false |
[CIF]
data_CaMnPdW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.53681223
_cell_length_b 4.53681223
_cell_length_c 4.53681223
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaMnPdW
_chemical_formula_sum 'Ca1 Mn1 Pd1 W1'
_cell_volume 66.02940991
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca Ca0 1 0.00000000 0.00000000 0.00000000 1
Mn Mn1 1 4.81201604 4.81201604 4.81201604 1
Pd Pd2 1 1.60400535 1.60400535 1.60400535 1
W W3 1 3.20801069 3.20801069 3.20801069 1
[/CIF]
| CaMnPdW | F-43m | 216 | cubic | -43m | 9,689.105583 | false |
[CIF]
data_TaBiPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.08304147
_cell_length_b 3.87705239
_cell_length_c 6.51817593
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaBiPt2
_chemical_formula_sum 'Ta1 Bi1 Pt2'
_cell_volume 77.91249540
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Bi Bi0 1 1.54152073 1.93852619 4.98252927 1
Pt Pt1 1 0.00000000 0.00000000 0.21650969 1
Pt Pt2 1 1.54152073 1.93852619 1.69492429 1
Ta Ta3 1 0.00000000 0.00000000 2.88330059 1
[/CIF]
| BiPt2Ta | Pmm2 | 25 | orthorhombic | mm2 | 16,626.092413 | false |
[CIF]
data_AlRe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.95205986
_cell_length_b 7.72029261
_cell_length_c 5.05319767
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlRe
_chemical_formula_sum 'Al12 Re12'
_cell_volume 349.23923302
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 7.66992839 0.95196913 1.26329942 1
Al Al1 1 1.28213147 6.76832348 3.78989825 1
Al Al2 1 1.28213147 4.81211544 1.26329942 1
Al Al3 1 7.66992839 2.90817717 3.78989825 1
Al Al4 1 5.18787777 4.24429108 1.26329942 1
Al Al5 1 3.76418209 3.47600153 3.78989825 1
Al Al6 1 3.76418209 0.38414478 1.26329942 1
Al Al7 1 5.18787777 7.33614783 3.78989825 1
Al Al8 1 8.18727536 5.79021946 0.00000000 1
Al Al9 1 0.76478450 1.93007315 2.52659884 1
Al Al10 1 0.76478450 1.93007315 0.00000000 1
Al Al11 1 8.18727536 5.79021946 2.52659884 1
Re Re12 1 7.76297422 3.64476319 1.26329942 1
Re Re13 1 1.18908564 4.07552942 3.78989825 1
Re Re14 1 1.18908564 7.50490949 1.26329942 1
Re Re15 1 7.76297422 0.21538312 3.78989825 1
Re Re16 1 5.98746286 6.72230119 1.26329942 1
Re Re17 1 2.96459700 0.99799142 3.78989825 1
Re Re18 1 2.96459700 2.86215489 1.26329942 1
Re Re19 1 5.98746286 4.85813772 3.78989825 1
Re Re20 1 3.40483361 5.79021946 0.00000000 1
Re Re21 1 5.54722625 1.93007315 2.52659884 1
Re Re22 1 5.54722625 1.93007315 0.00000000 1
Re Re23 1 3.40483361 5.79021946 2.52659884 1
[/CIF]
| Al12Re12 | Pbcm | 57 | orthorhombic | mmm | 12,163.853202 | false |
[CIF]
data_CaTl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92834230
_cell_length_b 4.82140478
_cell_length_c 6.80388135
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaTl
_chemical_formula_sum 'Ca2 Tl2'
_cell_volume 128.86638600
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca Ca0 1 0.00000000 0.00000000 4.53982247 1
Ca Ca1 1 1.96417115 2.41070239 2.26405888 1
Tl Tl2 1 0.00000000 0.00000000 0.95768780 1
Tl Tl3 1 1.96417115 2.41070239 5.84619355 1
[/CIF]
| Ca2Tl2 | Pmmn | 59 | orthorhombic | mmm | 6,300.130725 | false |
[CIF]
data_TbTa2Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.74637649
_cell_length_b 4.74637649
_cell_length_c 4.74637649
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TbTa2Ge
_chemical_formula_sum 'Tb1 Ta2 Ge1'
_cell_volume 75.60866220
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ge Ge0 1 -0.00000000 0.00000000 0.00000000 1
Ta Ta1 1 5.03429250 5.03429250 5.03429250 1
Ta Ta2 1 1.67809750 1.67809750 1.67809750 1
Tb Tb3 1 3.35619500 3.35619500 3.35619500 1
[/CIF]
| GeTa2Tb | Fm-3m | 225 | cubic | m-3m | 13,033.762654 | false |
[CIF]
data_YbTa2Ga
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69475749
_cell_length_b 4.69475749
_cell_length_c 4.69475749
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YbTa2Ga
_chemical_formula_sum 'Yb1 Ta2 Ga1'
_cell_volume 73.16855727
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ga Ga0 1 0.00000000 0.00000000 0.00000000 1
Ta Ta1 1 1.65984743 1.65984743 1.65984743 1
Ta Ta2 1 4.97954228 4.97954228 4.97954228 1
Yb Yb3 1 3.31969486 3.31969486 3.31969486 1
[/CIF]
| GaTa2Yb | Fm-3m | 225 | cubic | m-3m | 13,722.871926 | false |
[CIF]
data_TaGaFe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.32335549
_cell_length_b 5.32335549
_cell_length_c 5.32335549
_cell_angle_alpha 147.57169748
_cell_angle_beta 147.57169748
_cell_angle_gamma 46.51803007
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaGaFe
_chemical_formula_sum 'Ta1 Ga1 Fe1'
_cell_volume 43.22377143
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe Fe0 1 -0.00000000 0.00000000 9.76884174 1
Ga Ga1 1 -0.00000000 0.00000000 3.42229707 1
Ta Ta2 1 0.00000000 0.00000000 6.37174735 1
[/CIF]
| FeGaTa | I4mm | 107 | tetragonal | 4mm | 11,775.501685 | false |
[CIF]
data_BeCoAgRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22158974
_cell_length_b 4.22158974
_cell_length_c 4.22158974
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeCoAgRu
_chemical_formula_sum 'Be1 Co1 Ag1 Ru1'
_cell_volume 53.20017711
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 4.47767209 4.47767209 4.47767210 1
Be Be1 1 -0.00000000 -0.00000000 0.00000000 1
Co Co2 1 1.49255737 1.49255737 1.49255737 1
Ru Ru3 1 2.98511473 2.98511473 2.98511473 1
[/CIF]
| AgBeCoRu | F-43m | 216 | cubic | -43m | 8,642.377178 | false |
[CIF]
data_BiOsRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.80620463
_cell_length_b 4.80620463
_cell_length_c 2.92498739
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BiOsRh2
_chemical_formula_sum 'Bi1 Os1 Rh2'
_cell_volume 67.56604733
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Bi Bi0 1 2.40310231 2.40310231 0.00000000 1
Os Os1 1 0.00000000 0.00000000 0.00000000 1
Rh Rh2 1 0.00000000 2.40310231 1.46249370 1
Rh Rh3 1 2.40310231 0.00000000 1.46249370 1
[/CIF]
| BiOsRh2 | P4/mmm | 123 | tetragonal | 4/mmm | 14,869.327281 | false |
[CIF]
data_Al2InCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46410226
_cell_length_b 4.46410226
_cell_length_c 4.46410226
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Al2InCo
_chemical_formula_sum 'Al2 In1 Co1'
_cell_volume 62.90532419
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 4.73489547 4.73489547 4.73489547 1
Al Al1 1 1.57829849 1.57829849 1.57829849 1
Co Co2 1 0.00000000 0.00000000 0.00000000 1
In In3 1 3.15659698 3.15659698 3.15659698 1
[/CIF]
| Al2CoIn | Fm-3m | 225 | cubic | m-3m | 6,011.072193 | false |
[CIF]
data_Mn2FeTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.33827567
_cell_length_b 3.33827567
_cell_length_c 5.43307688
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn2FeTe
_chemical_formula_sum 'Mn2 Fe1 Te1'
_cell_volume 60.54666757
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe Fe0 1 0.00000000 0.00000000 0.00000000 1
Mn Mn1 1 1.66913783 1.66913783 1.26994836 1
Mn Mn2 1 1.66913783 1.66913783 4.16312852 1
Te Te3 1 0.00000000 0.00000000 2.71653844 1
[/CIF]
| FeMn2Te | P4/mmm | 123 | tetragonal | 4/mmm | 8,044.557175 | false |
[CIF]
data_Pt2Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52098832
_cell_length_b 5.52098832
_cell_length_c 5.52098832
_cell_angle_alpha 147.07616354
_cell_angle_beta 147.07616354
_cell_angle_gamma 47.25102289
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pt2Se
_chemical_formula_sum 'Pt2 Se1'
_cell_volume 49.52512978
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pt Pt0 1 0.00000000 -0.00000000 3.44511910 1
Pt Pt1 1 0.00000000 0.00000000 6.67136742 1
Se Se2 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Pt2Se | I4/mmm | 139 | tetragonal | 4/mmm | 15,729.496816 | false |
[CIF]
data_LiHf2In
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.05617356
_cell_length_b 5.03720245
_cell_length_c 5.59103916
_cell_angle_alpha 90.00000000
_cell_angle_beta 103.94360089
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiHf2In
_chemical_formula_sum 'Li1 Hf2 In1'
_cell_volume 83.53537675
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hf Hf0 1 2.23606713 2.51860122 1.26106355 1
Hf Hf1 1 -0.52714765 2.51860122 4.16522665 1
In In2 1 0.85445974 0.00000000 2.71314510 1
Li Li3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Hf2InLi | P2/m | 10 | monoclinic | 2/m | 9,516.504781 | false |
[CIF]
data_MgP2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13271770
_cell_length_b 4.13271770
_cell_length_c 3.49459676
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgP2
_chemical_formula_sum 'Mg1 P2'
_cell_volume 51.68912515
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg Mg0 1 0.00000000 0.00000000 0.00000000 1
P P1 1 2.06635885 1.19301284 1.74729838 1
P P2 1 0.00000000 2.38602568 1.74729838 1
[/CIF]
| MgP2 | P6/mmm | 191 | hexagonal | 6/mmm | 2,770.905588 | false |
[CIF]
data_VFePdRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28510849
_cell_length_b 4.28510849
_cell_length_c 4.28510849
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VFePdRu
_chemical_formula_sum 'V1 Fe1 Pd1 Ru1'
_cell_volume 55.63786637
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe Fe0 1 4.54504391 4.54504391 4.54504391 1
Pd Pd1 1 3.03002927 3.03002927 3.03002927 1
Ru Ru2 1 1.51501464 1.51501464 1.51501464 1
V V3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| FePdRuV | F-43m | 216 | cubic | -43m | 9,379.734344 | false |
[CIF]
data_NaLaTi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.39194825
_cell_length_b 4.39194825
_cell_length_c 4.91608055
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaLaTi2
_chemical_formula_sum 'Na1 La1 Ti2'
_cell_volume 94.82730731
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
La La0 1 2.19597413 2.19597413 0.00000000 1
Na Na1 1 0.00000000 0.00000000 0.00000000 1
Ti Ti2 1 0.00000000 2.19597413 2.45804028 1
Ti Ti3 1 2.19597413 0.00000000 2.45804028 1
[/CIF]
| LaNaTi2 | P4/mmm | 123 | tetragonal | 4/mmm | 4,511.394752 | false |
[CIF]
data_Li3LaC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.98611614
_cell_length_b 5.98611614
_cell_length_c 5.98611614
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li3LaC
_chemical_formula_sum 'Li3 La1 C1'
_cell_volume 214.50401015
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.00000000 0.00000000 0.00000000 1
Li Li1 1 2.99305807 0.00000000 2.99305807 1
Li Li2 1 2.99305807 2.99305807 0.00000000 1
Li Li3 1 0.00000000 2.99305807 2.99305807 1
La La4 1 2.99305807 2.99305807 2.99305807 1
[/CIF]
| CLaLi3 | Pm-3m | 221 | cubic | m-3m | 1,329.483774 | false |
[CIF]
data_GeSbPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.52123891
_cell_length_b 6.52123891
_cell_length_c 6.52123891
_cell_angle_alpha 151.71785677
_cell_angle_beta 151.71785677
_cell_angle_gamma 40.42546915
_symmetry_Int_Tables_number 1
_chemical_formula_structural GeSbPt
_chemical_formula_sum 'Ge1 Sb1 Pt1'
_cell_volume 62.13395519
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ge Ge0 1 -0.00000000 0.00000000 11.83589941 1
Pt Pt1 1 0.00000000 -0.00000000 4.20408349 1
Sb Sb2 1 0.00000000 0.00000000 8.43856346 1
[/CIF]
| GePtSb | I4mm | 107 | tetragonal | 4mm | 10,409.017031 | false |
[CIF]
data_LaCr2Fe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.07043848
_cell_length_b 4.43499388
_cell_length_c 4.52334849
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaCr2Fe
_chemical_formula_sum 'La1 Cr2 Fe1'
_cell_volume 61.59613657
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cr Cr0 1 0.00000000 0.00000000 0.00000000 1
Cr Cr1 1 1.53521924 2.21749694 0.00000000 1
Fe Fe2 1 1.53521924 0.00000000 2.26167425 1
La La3 1 0.00000000 2.21749694 2.26167425 1
[/CIF]
| Cr2FeLa | Pmmm | 47 | orthorhombic | mmm | 8,053.652421 | false |
[CIF]
data_MnCo2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13411174
_cell_length_b 4.13411174
_cell_length_c 4.13411174
_cell_angle_alpha 129.98828108
_cell_angle_beta 129.98828108
_cell_angle_gamma 73.42550002
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnCo2Si
_chemical_formula_sum 'Mn1 Co2 Si1'
_cell_volume 40.48316110
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Co Co0 1 1.74753428 -0.00000000 1.65704012 1
Co Co1 1 0.00000000 1.74753428 1.65704012 1
Mn Mn2 1 0.00000000 -0.00000000 3.31408023 1
Si Si3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Co2MnSi | I4/mmm | 139 | tetragonal | 4/mmm | 8,240.107148 | false |
[CIF]
data_Li4TlIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53860651
_cell_length_b 5.53860651
_cell_length_c 5.53860651
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li4TlIn
_chemical_formula_sum 'Li4 Tl1 In1'
_cell_volume 120.13969833
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
In In0 1 0.00000000 0.00000000 0.00000000 1
Li Li1 1 4.89810054 4.89810054 2.93467190 1
Li Li2 1 4.89810054 2.93467190 4.89810054 1
Li Li3 1 2.93467190 4.89810054 4.89810054 1
Li Li4 1 2.93467190 2.93467190 2.93467190 1
Tl Tl5 1 5.87457933 5.87457933 5.87457933 1
[/CIF]
| InLi4Tl | F-43m | 216 | cubic | -43m | 4,795.662411 | false |
[CIF]
data_NaTc2Hg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56811546
_cell_length_b 4.56811546
_cell_length_c 4.56811546
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaTc2Hg
_chemical_formula_sum 'Na1 Tc2 Hg1'
_cell_volume 67.40563732
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg Hg0 1 1.61507271 1.61507271 1.61507271 1
Na Na1 1 0.00000000 0.00000000 0.00000000 1
Tc Tc2 1 4.84521813 4.84521813 4.84521813 1
Tc Tc3 1 3.23014542 3.23014542 3.23014542 1
[/CIF]
| HgNaTc2 | F-43m | 216 | cubic | -43m | 10,381.003537 | false |
[CIF]
data_NbVNiPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56753732
_cell_length_b 4.56753732
_cell_length_c 4.56753732
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbVNiPb
_chemical_formula_sum 'Nb1 V1 Ni1 Pb1'
_cell_volume 67.38004782
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Nb Nb0 1 1.61486830 1.61486830 1.61486830 1
Ni Ni1 1 4.84460492 4.84460492 4.84460492 1
Pb Pb2 1 3.22973661 3.22973661 3.22973661 1
V V3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| NbNiPbV | F-43m | 216 | cubic | -43m | 10,097.817154 | false |
[CIF]
data_SiRhCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.47238184
_cell_length_b 4.47238184
_cell_length_c 3.44555551
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SiRhCl2
_chemical_formula_sum 'Si1 Rh1 Cl2'
_cell_volume 68.91868809
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cl Cl0 1 0.00000000 2.23619092 1.72277776 1
Cl Cl1 1 2.23619092 0.00000000 1.72277776 1
Rh Rh2 1 2.23619092 2.23619092 0.00000000 1
Si Si3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Cl2RhSi | P4/mmm | 123 | tetragonal | 4/mmm | 4,864.542046 | false |
[CIF]
data_MgMn2Hg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.05265816
_cell_length_b 4.05265816
_cell_length_c 4.09910153
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgMn2Hg
_chemical_formula_sum 'Mg1 Mn2 Hg1'
_cell_volume 67.32379996
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg Hg0 1 2.02632908 2.02632908 0.00000000 1
Mg Mg1 1 0.00000000 0.00000000 0.00000000 1
Mn Mn2 1 0.00000000 2.02632908 2.04955077 1
Mn Mn3 1 2.02632908 0.00000000 2.04955077 1
[/CIF]
| HgMgMn2 | P4/mmm | 123 | tetragonal | 4/mmm | 8,257.116706 | false |
[CIF]
data_NaCu2Re
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.85090326
_cell_length_b 4.85090326
_cell_length_c 2.52167520
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 94.83349230
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaCu2Re
_chemical_formula_sum 'Na1 Cu2 Re1'
_cell_volume 59.12718096
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu Cu0 1 1.64120803 1.78584764 1.26083760 1
Cu Cu1 1 1.64120803 -1.78584764 1.26083760 1
Na Na2 1 0.00000000 0.00000000 0.00000000 1
Re Re3 1 3.28241607 0.00000000 0.00000000 1
[/CIF]
| Cu2NaRe | Cmmm | 65 | orthorhombic | mmm | 9,444.417452 | false |
[CIF]
data_K2ZrHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.36231735
_cell_length_b 3.36231735
_cell_length_c 11.93430366
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K2ZrHg
_chemical_formula_sum 'K2 Zr1 Hg1'
_cell_volume 134.91942673
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg Hg0 1 0.00000000 0.00000000 5.96715183 1
K K1 1 1.68115868 1.68115868 8.76831084 1
K K2 1 1.68115868 1.68115868 3.16599282 1
Zr Zr3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| HgK2Zr | P4/mmm | 123 | tetragonal | 4/mmm | 4,553.955433 | false |
[CIF]
data_Zr2CdMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.85662958
_cell_length_b 4.85662958
_cell_length_c 4.85662958
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr2CdMo
_chemical_formula_sum 'Zr2 Cd1 Mo1'
_cell_volume 81.00091873
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cd Cd0 1 3.43415571 3.43415571 3.43415571 1
Mo Mo1 1 0.00000000 0.00000000 0.00000000 1
Zr Zr2 1 1.71707786 1.71707786 1.71707786 1
Zr Zr3 1 5.15123357 5.15123357 5.15123357 1
[/CIF]
| CdMoZr2 | Fm-3m | 225 | cubic | m-3m | 8,012.290287 | false |
[CIF]
data_CoPd2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.82147197
_cell_length_b 2.82147197
_cell_length_c 7.55505214
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CoPd2Au
_chemical_formula_sum 'Co1 Pd2 Au1'
_cell_volume 60.14353438
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 0.00000000 0.00000000 3.77752607 1
Co Co1 1 0.00000000 0.00000000 0.00000000 1
Pd Pd2 1 1.41073599 1.41073599 1.67824181 1
Pd Pd3 1 1.41073599 1.41073599 5.87681033 1
[/CIF]
| AuCoPd2 | P4/mmm | 123 | tetragonal | 4/mmm | 12,941.718478 | false |
[CIF]
data_MgInAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.64644475
_cell_length_b 4.64644475
_cell_length_c 4.64644475
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgInAu
_chemical_formula_sum 'Mg1 In1 Au1'
_cell_volume 70.93283763
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 3.28553259 3.28553259 3.28553259 1
In In1 1 1.64276629 1.64276629 1.64276630 1
Mg Mg2 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AuInMg | F-43m | 216 | cubic | -43m | 7,867.863148 | false |
[CIF]
data_NaAlSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84411309
_cell_length_b 4.84411309
_cell_length_c 3.44704205
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaAlSe2
_chemical_formula_sum 'Na1 Al1 Se2'
_cell_volume 80.88632955
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 2.42205654 2.42205654 0.00000000 1
Na Na1 1 0.00000000 0.00000000 0.00000000 1
Se Se2 1 0.00000000 2.42205654 1.72352102 1
Se Se3 1 2.42205654 0.00000000 1.72352102 1
[/CIF]
| AlNaSe2 | P4/mmm | 123 | tetragonal | 4/mmm | 4,267.861334 | false |
[CIF]
data_ZrRePt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.80211060
_cell_length_b 4.80211060
_cell_length_c 4.80211060
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZrRePt3
_chemical_formula_sum 'Zr1 Re1 Pt3'
_cell_volume 110.73794883
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Re Re0 1 2.40105530 2.40105530 2.40105530 1
Zr Zr1 1 0.00000000 0.00000000 0.00000000 1
Pt Pt2 1 2.40105530 0.00000000 2.40105530 1
Pt Pt3 1 2.40105530 2.40105530 0.00000000 1
Pt Pt4 1 0.00000000 2.40105530 2.40105530 1
[/CIF]
| Pt3ReZr | Pm-3m | 221 | cubic | m-3m | 12,936.114844 | false |
[CIF]
data_CrGa2Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.75339951
_cell_length_b 2.75339951
_cell_length_c 7.74664007
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrGa2Mo
_chemical_formula_sum 'Cr1 Ga2 Mo1'
_cell_volume 58.72889635
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cr Cr0 1 0.00000000 0.00000000 0.00000000 1
Ga Ga1 1 1.37669975 1.37669975 1.81769363 1
Ga Ga2 1 1.37669975 1.37669975 5.92894644 1
Mo Mo3 1 0.00000000 0.00000000 3.87332004 1
[/CIF]
| CrGa2Mo | P4/mmm | 123 | tetragonal | 4/mmm | 8,126.194166 | false |
[CIF]
data_BeVF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.68273883
_cell_length_b 3.68273883
_cell_length_c 3.68273883
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeVF3
_chemical_formula_sum 'Be1 V1 F3'
_cell_volume 49.94738583
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Be Be0 1 0.00000000 0.00000000 0.00000000 1
F F1 1 1.84136941 0.00000000 0.00000000 1
F F2 1 0.00000000 1.84136941 0.00000000 1
F F3 1 0.00000000 0.00000000 1.84136941 1
V V4 1 1.84136941 1.84136941 1.84136941 1
[/CIF]
| BeF3V | Pm-3m | 221 | cubic | m-3m | 3,888.055402 | false |
[CIF]
data_KTiSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.18755480
_cell_length_b 5.18755480
_cell_length_c 5.18755480
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KTiSb
_chemical_formula_sum 'K1 Ti1 Sb1'
_cell_volume 98.71271475
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K K0 1 0.00000000 0.00000000 0.00000000 1
Sb Sb1 1 5.50223277 5.50223277 5.50223277 1
Ti Ti2 1 1.83407759 1.83407759 1.83407759 1
[/CIF]
| KSbTi | F-43m | 216 | cubic | -43m | 3,511.163843 | false |
[CIF]
data_LaSiTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.43395882
_cell_length_b 5.43395882
_cell_length_c 5.43395882
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaSiTe2
_chemical_formula_sum 'La1 Si1 Te2'
_cell_volume 113.45771447
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
La La0 1 3.84238913 3.84238913 3.84238913 1
Si Si1 1 0.00000000 0.00000000 0.00000000 1
Te Te2 1 5.76358369 5.76358369 5.76358369 1
Te Te3 1 1.92119457 1.92119457 1.92119457 1
[/CIF]
| LaSiTe2 | Fm-3m | 225 | cubic | m-3m | 6,179.082688 | false |
[CIF]
data_TaHg4Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57271008
_cell_length_b 5.57271008
_cell_length_c 5.57271008
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaHg4Ir
_chemical_formula_sum 'Ta1 Hg4 Ir1'
_cell_volume 122.37264626
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg Hg0 1 4.92563603 4.92563603 2.95536615 1
Hg Hg1 1 4.92563603 2.95536615 4.92563603 1
Hg Hg2 1 2.95536615 4.92563603 4.92563603 1
Hg Hg3 1 2.95536615 2.95536615 2.95536615 1
Ir Ir4 1 5.91075164 5.91075164 5.91075164 1
Ta Ta5 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Hg4IrTa | F-43m | 216 | cubic | -43m | 15,951.317935 | false |
[CIF]
data_PaBeBi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23689363
_cell_length_b 5.23689363
_cell_length_c 5.23689363
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural PaBeBi2
_chemical_formula_sum 'Pa1 Be1 Bi2'
_cell_volume 101.55615765
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Be Be0 1 0.00000000 0.00000000 0.00000000 1
Bi Bi1 1 1.85152150 1.85152150 1.85152150 1
Bi Bi2 1 5.55456450 5.55456450 5.55456450 1
Pa Pa3 1 3.70304300 3.70304300 3.70304300 1
[/CIF]
| BeBi2Pa | Fm-3m | 225 | cubic | m-3m | 10,759.066184 | false |
[CIF]
data_Cd2InNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.11096302
_cell_length_b 3.11096302
_cell_length_c 8.08666535
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cd2InNi
_chemical_formula_sum 'Cd2 In1 Ni1'
_cell_volume 78.26348218
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cd Cd0 1 1.55548151 1.55548151 7.72147243 1
Cd Cd1 1 0.00000000 0.00000000 1.96673216 1
In In2 1 1.55548151 1.55548151 4.47820119 1
Ni Ni3 1 0.00000000 0.00000000 6.05025759 1
[/CIF]
| Cd2InNi | P4mm | 99 | tetragonal | 4mm | 8,452.727325 | false |
[CIF]
data_Ti2RhAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.07090170
_cell_length_b 3.07090170
_cell_length_c 6.90249301
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 91.48522195
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2RhAu
_chemical_formula_sum 'Ti2 Rh1 Au1'
_cell_volume 65.07165860
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 2.14312957 0.00000000 3.48705181 1
Rh Rh1 1 0.00000000 0.00000000 1.49248555 1
Ti Ti2 1 2.14312957 0.00000000 0.13715309 1
Ti Ti3 1 0.00000000 0.00000000 5.23704907 1
[/CIF]
| AuRhTi2 | Cmm2 | 35 | orthorhombic | mm2 | 10,095.321783 | false |
[CIF]
data_SrScFeCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82516170
_cell_length_b 4.82516170
_cell_length_c 4.82516170
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrScFeCo
_chemical_formula_sum 'Sr1 Sc1 Fe1 Co1'
_cell_volume 79.43659471
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Co Co0 1 5.11785684 5.11785684 5.11785684 1
Fe Fe1 1 1.70595228 1.70595228 1.70595228 1
Sc Sc2 1 0.00000000 0.00000000 0.00000000 1
Sr Sr3 1 3.41190456 3.41190456 3.41190456 1
[/CIF]
| CoFeScSr | F-43m | 216 | cubic | -43m | 5,170.679325 | false |
[CIF]
data_Sr2HfAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.61453349
_cell_length_b 10.61453349
_cell_length_c 10.61453349
_cell_angle_alpha 20.24313513
_cell_angle_beta 20.24313513
_cell_angle_gamma 20.24313513
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr2HfAu
_chemical_formula_sum 'Sr2 Hf1 Au1'
_cell_volume 125.28245305
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 0.00000000 -0.00000000 15.59053920 1
Hf Hf1 1 0.00000000 0.00000000 0.00000000 1
Sr Sr2 1 0.00000000 -0.00000000 23.64205303 1
Sr Sr3 1 -0.00000000 -0.00000000 7.53902537 1
[/CIF]
| AuHfSr2 | R-3m | 166 | trigonal | -3m | 7,299.132029 | false |
[CIF]
data_Li2ZnIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.58122182
_cell_length_b 4.58122182
_cell_length_c 4.58122182
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li2ZnIn
_chemical_formula_sum 'Li2 Zn1 In1'
_cell_volume 67.98748310
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
In In0 1 1.61970651 1.61970651 1.61970651 1
Li Li1 1 0.00000000 0.00000000 0.00000000 1
Li Li2 1 4.85911952 4.85911952 4.85911952 1
Zn Zn3 1 3.23941302 3.23941302 3.23941302 1
[/CIF]
| InLi2Zn | F-43m | 216 | cubic | -43m | 4,740.303041 | false |
[CIF]
data_CoGe2Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.13612981
_cell_length_b 3.13612981
_cell_length_c 7.13889628
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CoGe2Br
_chemical_formula_sum 'Co1 Ge2 Br1'
_cell_volume 70.21325929
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Br Br0 1 0.00000000 0.00000000 3.56944814 1
Co Co1 1 0.00000000 0.00000000 0.00000000 1
Ge Ge2 1 1.56806490 1.56806490 1.37499561 1
Ge Ge3 1 1.56806490 1.56806490 5.76390067 1
[/CIF]
| BrCoGe2 | P4/mmm | 123 | tetragonal | 4/mmm | 6,719.353389 | false |
[CIF]
data_TlBMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67597176
_cell_length_b 5.67597176
_cell_length_c 5.67597176
_cell_angle_alpha 148.22363336
_cell_angle_beta 148.22363336
_cell_angle_gamma 45.55534602
_symmetry_Int_Tables_number 1
_chemical_formula_structural TlBMo
_chemical_formula_sum 'Tl1 B1 Mo1'
_cell_volume 50.54299239
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
B B0 1 -0.00000000 -0.00000000 9.68264919 1
Mo Mo1 1 -0.00000000 0.00000000 4.17842663 1
Tl Tl2 1 -0.00000000 -0.00000000 7.07222801 1
[/CIF]
| BMoTl | I4mm | 107 | tetragonal | 4mm | 10,222.660877 | false |
[CIF]
data_ZrTiMnW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50885215
_cell_length_b 4.50885215
_cell_length_c 4.50885215
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZrTiMnW
_chemical_formula_sum 'Zr1 Ti1 Mn1 W1'
_cell_volume 64.81611339
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn Mn0 1 4.78235990 4.78235990 4.78235990 1
Ti Ti1 1 0.00000000 0.00000000 0.00000000 1
W W2 1 1.59411997 1.59411997 1.59411996 1
Zr Zr3 1 3.18823993 3.18823993 3.18823993 1
[/CIF]
| MnTiWZr | F-43m | 216 | cubic | -43m | 9,680.714848 | false |
[CIF]
data_VCo2Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.15107003
_cell_length_b 3.10905758
_cell_length_c 6.27808669
_cell_angle_alpha 90.00000000
_cell_angle_beta 100.03110056
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VCo2Br
_chemical_formula_sum 'V1 Co2 Br1'
_cell_volume 60.56531153
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Br Br0 1 2.61894665 1.55452879 1.65736150 1
Co Co1 1 1.43411210 0.00000000 5.72149326 1
Co Co2 1 -0.19799234 1.55452879 4.50683572 1
V V3 1 1.28877327 0.00000000 3.56959890 1
[/CIF]
| BrCo2V | Pm | 6 | monoclinic | m | 6,819.015692 | false |
[CIF]
data_SrTaAlOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.81404525
_cell_length_b 4.81404525
_cell_length_c 4.81404525
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrTaAlOs
_chemical_formula_sum 'Sr1 Ta1 Al1 Os1'
_cell_volume 78.88882837
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 0.00000000 0.00000000 0.00000000 1
Os Os1 1 3.40404404 3.40404404 3.40404404 1
Sr Sr2 1 1.70202202 1.70202202 1.70202202 1
Ta Ta3 1 5.10606606 5.10606606 5.10606606 1
[/CIF]
| AlOsSrTa | F-43m | 216 | cubic | -43m | 10,225.220972 | false |
[CIF]
data_Co2CuGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.43157531
_cell_length_b 4.43157531
_cell_length_c 4.43157531
_cell_angle_alpha 131.78797839
_cell_angle_beta 131.78797839
_cell_angle_gamma 70.56409880
_symmetry_Int_Tables_number 1
_chemical_formula_structural Co2CuGe
_chemical_formula_sum 'Co2 Cu1 Ge1'
_cell_volume 47.40469035
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Co Co0 1 0.00000000 0.00000000 0.00000000 1
Co Co1 1 1.80997156 -0.00000000 1.80878865 1
Cu Cu2 1 0.00000000 0.00000000 3.61757731 1
Ge Ge3 1 -0.00000000 1.80997156 1.80878866 1
[/CIF]
| Co2CuGe | I-4m2 | 119 | tetragonal | -42m | 8,899.202071 | false |
[CIF]
data_CrCd2Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.58999712
_cell_length_b 4.58999712
_cell_length_c 4.58999712
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrCd2Ru
_chemical_formula_sum 'Cr1 Cd2 Ru1'
_cell_volume 68.37892071
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cd Cd0 1 3.24561809 3.24561809 3.24561809 1
Cd Cd1 1 4.86842713 4.86842713 4.86842713 1
Cr Cr2 1 0.00000000 0.00000000 0.00000000 1
Ru Ru3 1 1.62280905 1.62280905 1.62280905 1
[/CIF]
| Cd2CrRu | F-43m | 216 | cubic | -43m | 9,176.774748 | false |
[CIF]
data_La2TcRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.60540077
_cell_length_b 8.60540077
_cell_length_c 8.60540077
_cell_angle_alpha 24.37424646
_cell_angle_beta 24.37424646
_cell_angle_gamma 24.37424646
_symmetry_Int_Tables_number 1
_chemical_formula_structural La2TcRh
_chemical_formula_sum 'La2 Tc1 Rh1'
_cell_volume 95.41117252
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
La La0 1 0.00000000 0.00000000 18.81732010 1
La La1 1 0.00000000 0.00000000 6.22013079 1
Rh Rh2 1 -0.00000000 -0.00000000 12.51872545 1
Tc Tc3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| La2RhTc | R-3m | 166 | trigonal | -3m | 8,347.367603 | false |
[CIF]
data_NaMgTaPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.71998921
_cell_length_b 4.71998921
_cell_length_c 4.71998921
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaMgTaPd
_chemical_formula_sum 'Na1 Mg1 Ta1 Pd1'
_cell_volume 74.35463065
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg Mg0 1 3.33753638 3.33753638 3.33753638 1
Na Na1 1 0.00000000 0.00000000 0.00000000 1
Pd Pd2 1 5.00630457 5.00630457 5.00630457 1
Ta Ta3 1 1.66876819 1.66876819 1.66876819 1
[/CIF]
| MgNaPdTa | F-43m | 216 | cubic | -43m | 7,473.917878 | false |
[CIF]
data_Tl2SnAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29648965
_cell_length_b 5.29648965
_cell_length_c 5.29648965
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tl2SnAu
_chemical_formula_sum 'Tl2 Sn1 Au1'
_cell_volume 105.06290060
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 3.74518375 3.74518375 3.74518375 1
Sn Sn1 1 0.00000000 0.00000000 0.00000000 1
Tl Tl2 1 5.61777563 5.61777563 5.61777563 1
Tl Tl3 1 1.87259188 1.87259188 1.87259187 1
[/CIF]
| AuSnTl2 | Fm-3m | 225 | cubic | m-3m | 11,449.961659 | false |
[CIF]
data_HfZrTl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.07602375
_cell_length_b 6.07602375
_cell_length_c 6.07602375
_cell_angle_alpha 146.41621612
_cell_angle_beta 130.49782892
_cell_angle_gamma 61.15138334
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfZrTl2
_chemical_formula_sum 'Hf1 Zr1 Tl2'
_cell_volume 93.43753208
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hf Hf0 1 0.00000000 2.54389105 2.58416671 1
Tl Tl1 1 0.00000000 0.00000000 10.44960764 1
Tl Tl2 1 1.75534091 0.00000000 2.61992647 1
Zr Zr3 1 0.00000000 0.00000000 5.27110214 1
[/CIF]
| HfTl2Zr | Imm2 | 44 | orthorhombic | mm2 | 12,057.719389 | false |
[CIF]
data_NaBeAlZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46481386
_cell_length_b 4.46481386
_cell_length_c 4.46481386
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaBeAlZn
_chemical_formula_sum 'Na1 Be1 Al1 Zn1'
_cell_volume 62.93541153
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 3.15710016 3.15710016 3.15710016 1
Be Be1 1 0.00000000 0.00000000 0.00000000 1
Na Na2 1 4.73565024 4.73565024 4.73565024 1
Zn Zn3 1 1.57855008 1.57855008 1.57855008 1
[/CIF]
| AlBeNaZn | F-43m | 216 | cubic | -43m | 3,281.307429 | false |
[CIF]
data_CsSi3Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.10969754
_cell_length_b 5.10969754
_cell_length_c 5.10969754
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CsSi3Os
_chemical_formula_sum 'Cs1 Si3 Os1'
_cell_volume 133.40913881
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cs Cs0 1 0.00000000 0.00000000 0.00000000 1
Si Si1 1 0.00000000 2.55484877 0.00000000 1
Si Si2 1 0.00000000 0.00000000 2.55484877 1
Si Si3 1 2.55484877 0.00000000 0.00000000 1
Os Os4 1 2.55484877 2.55484877 2.55484877 1
[/CIF]
| CsOsSi3 | Pm-3m | 221 | cubic | m-3m | 5,070.793932 | false |
[CIF]
data_K2TaSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57421708
_cell_length_b 5.57421708
_cell_length_c 5.57421708
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K2TaSi
_chemical_formula_sum 'K2 Ta1 Si1'
_cell_volume 122.47195098
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K K0 1 1.97078335 1.97078335 1.97078335 1
K K1 1 5.91235005 5.91235005 5.91235005 1
Si Si2 1 0.00000000 0.00000000 0.00000000 1
Ta Ta3 1 3.94156670 3.94156670 3.94156670 1
[/CIF]
| K2SiTa | Fm-3m | 225 | cubic | m-3m | 3,894.414999 | false |
[CIF]
data_CsAg3Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.03141171
_cell_length_b 6.03141171
_cell_length_c 6.03141171
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CsAg3Pd
_chemical_formula_sum 'Cs1 Ag3 Pd1'
_cell_volume 219.41025619
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cs Cs0 1 3.01570586 3.01570586 3.01570586 1
Pd Pd1 1 0.00000000 0.00000000 0.00000000 1
Ag Ag2 1 3.01570586 0.00000000 3.01570586 1
Ag Ag3 1 3.01570586 3.01570586 0.00000000 1
Ag Ag4 1 0.00000000 3.01570586 3.01570586 1
[/CIF]
| Ag3CsPd | Pm-3m | 221 | cubic | m-3m | 4,260.363026 | false |
[CIF]
data_NbHg2Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68172718
_cell_length_b 4.68172718
_cell_length_c 4.68172718
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbHg2Ir
_chemical_formula_sum 'Nb1 Hg2 Ir1'
_cell_volume 72.56100853
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg Hg0 1 1.65524052 1.65524052 1.65524052 1
Hg Hg1 1 4.96572156 4.96572156 4.96572156 1
Ir Ir2 1 3.31048104 3.31048104 3.31048104 1
Nb Nb3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Hg2IrNb | Fm-3m | 225 | cubic | m-3m | 15,705.86734 | false |
[CIF]
data_CsFe3P
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.59012221
_cell_length_b 4.59012221
_cell_length_c 4.59012221
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CsFe3P
_chemical_formula_sum 'Cs1 Fe3 P1'
_cell_volume 96.71030340
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cs Cs0 1 2.29506110 2.29506110 2.29506110 1
P P1 1 0.00000000 0.00000000 0.00000000 1
Fe Fe2 1 0.00000000 2.29506110 0.00000000 1
Fe Fe3 1 0.00000000 0.00000000 2.29506110 1
Fe Fe4 1 2.29506110 0.00000000 0.00000000 1
[/CIF]
| CsFe3P | Pm-3m | 221 | cubic | m-3m | 5,690.461409 | false |
[CIF]
data_Y3HAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76058529
_cell_length_b 4.76058529
_cell_length_c 4.76058529
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y3HAu
_chemical_formula_sum 'Y3 H1 Au1'
_cell_volume 107.88996469
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Y Y0 1 0.00000000 2.38029265 0.00000000 1
Y Y1 1 0.00000000 0.00000000 2.38029265 1
Y Y2 1 2.38029265 0.00000000 0.00000000 1
H H3 1 0.00000000 0.00000000 0.00000000 1
Au Au4 1 2.38029265 2.38029265 2.38029265 1
[/CIF]
| AuHY3 | Pm-3m | 221 | cubic | m-3m | 7,152.095379 | false |
[CIF]
data_Hf5Hg24
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.51903869
_cell_length_b 9.51903869
_cell_length_c 9.51903869
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf5Hg24
_chemical_formula_sum 'Hf5 Hg24'
_cell_volume 663.98364978
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hf Hf0 1 3.56695435 -3.56695435 3.56695435 1
Hf Hf1 1 -3.56695435 3.56695435 3.56695435 1
Hf Hf2 1 3.56695435 3.56695435 -3.56695435 1
Hf Hf3 1 1.92886520 1.92886520 1.92886520 1
Hf Hf4 1 0.00000000 0.00000000 0.00000000 1
Hg Hg5 1 1.00604610 -1.00604610 3.10901573 1
Hg Hg6 1 -1.00604610 1.00604610 3.10901573 1
Hg Hg7 1 1.00604610 1.00604610 7.88262337 1
Hg Hg8 1 4.48977345 4.48977345 2.38680382 1
Hg Hg9 1 1.00604610 7.88262337 1.00604610 1
Hg Hg10 1 4.48977345 2.38680382 4.48977345 1
Hg Hg11 1 -1.00604610 3.10901573 1.00604610 1
Hg Hg12 1 1.00604610 3.10901573 -1.00604610 1
Hg Hg13 1 3.10901573 -1.00604610 1.00604610 1
Hg Hg14 1 3.10901573 1.00604610 -1.00604610 1
Hg Hg15 1 2.38680382 4.48977345 4.48977345 1
Hg Hg16 1 7.88262337 1.00604610 1.00604610 1
Hg Hg17 1 -1.55962379 1.55962379 6.10216585 1
Hg Hg18 1 1.55962379 -1.55962379 6.10216585 1
Hg Hg19 1 3.93619576 3.93619576 -0.60634630 1
Hg Hg20 1 1.55962379 1.55962379 4.88947325 1
Hg Hg21 1 3.93619576 -0.60634630 3.93619576 1
Hg Hg22 1 1.55962379 4.88947325 1.55962379 1
Hg Hg23 1 1.55962379 6.10216585 -1.55962379 1
Hg Hg24 1 -1.55962379 6.10216585 1.55962379 1
Hg Hg25 1 6.10216585 1.55962379 -1.55962379 1
Hg Hg26 1 6.10216585 -1.55962379 1.55962379 1
Hg Hg27 1 4.88947325 1.55962379 1.55962379 1
Hg Hg28 1 -0.60634630 3.93619576 3.93619576 1
[/CIF]
| Hf5Hg24 | I-43m | 217 | cubic | -43m | 14,271.509315 | false |
[CIF]
data_YHfV2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.83320160
_cell_length_b 4.83320160
_cell_length_c 3.32066218
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YHfV2
_chemical_formula_sum 'Y1 Hf1 V2'
_cell_volume 77.57012944
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hf Hf0 1 2.41660080 2.41660080 0.00000000 1
V V1 1 2.41660080 0.00000000 1.66033109 1
V V2 1 0.00000000 2.41660080 1.66033109 1
Y Y3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| HfV2Y | P4/mmm | 123 | tetragonal | 4/mmm | 7,905.214759 | false |
[CIF]
data_ScMn2Hg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.98949810
_cell_length_b 3.72378503
_cell_length_c 5.91326840
_cell_angle_alpha 90.00000000
_cell_angle_beta 99.36302932
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScMn2Hg
_chemical_formula_sum 'Sc1 Mn2 Hg1'
_cell_volume 64.95096849
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg Hg0 1 0.85654094 1.86189252 4.49986214 1
Mn Mn1 1 0.32139286 0.00000000 0.34612219 1
Mn Mn2 1 1.01220643 1.86189252 1.22607453 1
Sc Sc3 1 2.34581746 0.00000000 2.67967314 1
[/CIF]
| HgMn2Sc | Pm | 6 | monoclinic | m | 9,086.733165 | false |