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_ScTa2W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.50993557
_cell_length_b 5.50993557
_cell_length_c 2.75770646
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 118.11497618
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScTa2W
_chemical_formula_sum 'Sc1 Ta2 W1'
_cell_volume 73.84336758
_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
Sc Sc0 1 0.00000000 0.00000000 0.00000000 1
Ta Ta1 1 1.41654320 2.36289079 1.37885323 1
Ta Ta2 1 1.41654319 -2.36289078 1.37885323 1
W W3 1 2.83308639 -0.00000000 0.00000000 1
[/CIF]
| ScTa2W | Cmmm | 65 | orthorhombic | mmm | 13,283.06969 | false |
[CIF]
data_Zr2BSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.49139274
_cell_length_b 3.41217766
_cell_length_c 6.74047952
_cell_angle_alpha 90.00000000
_cell_angle_beta 104.92575157
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr2BSb
_chemical_formula_sum 'Zr2 B1 Sb1'
_cell_volume 77.59170954
_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 0.00000000 1
Sb Sb1 1 -0.86806290 0.00000000 3.25652926 1
Zr Zr2 1 0.74840808 1.70608883 5.15773592 1
Zr Zr3 1 1.00685886 1.70608883 1.35532260 1
[/CIF]
| BSbZr2 | P2/m | 10 | monoclinic | 2/m | 6,741.717115 | false |
[CIF]
data_Ti2VRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23555405
_cell_length_b 5.23555405
_cell_length_c 5.23555405
_cell_angle_alpha 139.26865391
_cell_angle_beta 139.26865391
_cell_angle_gamma 58.96544555
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2VRh
_chemical_formula_sum 'Ti2 V1 Rh1'
_cell_volume 60.52061429
_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
Rh Rh0 1 0.00000000 1.82202748 2.27878575 1
Ti Ti1 1 0.00000000 0.00000000 0.00000000 1
Ti Ti2 1 1.82202748 0.00000000 2.27878575 1
V V3 1 0.00000000 -0.00000000 4.55757150 1
[/CIF]
| RhTi2V | I-4m2 | 119 | tetragonal | -42m | 6,847.898119 | false |
[CIF]
data_Be2VMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.46027663
_cell_length_b 8.46027663
_cell_length_c 8.46027663
_cell_angle_alpha 17.89462567
_cell_angle_beta 17.89462567
_cell_angle_gamma 17.89462567
_symmetry_Int_Tables_number 1
_chemical_formula_structural Be2VMo
_chemical_formula_sum 'Be2 V1 Mo1'
_cell_volume 49.91516533
_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 18.70106951 1
Be Be1 1 -0.00000000 0.00000000 6.26712525 1
Mo Mo2 1 -0.00000000 0.00000000 12.48409738 1
V V3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Be2MoV | R-3m | 166 | trigonal | -3m | 5,486.625923 | false |
[CIF]
data_LiP2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09780226
_cell_length_b 4.09780226
_cell_length_c 4.98527303
_cell_angle_alpha 101.36812586
_cell_angle_beta 101.36812586
_cell_angle_gamma 48.24669098
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiP2Rh
_chemical_formula_sum 'Li1 P2 Rh1'
_cell_volume 60.97730382
_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 0.00000000 1
P P1 1 0.99367628 -0.00000000 3.33712525 1
P P2 1 5.40950096 -0.00000000 1.53049155 1
Rh Rh3 1 3.20158862 -0.00000000 2.43380840 1
[/CIF]
| LiP2Rh | C2/m | 12 | monoclinic | 2/m | 4,678.309312 | false |
[CIF]
data_ScNbCrNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46315498
_cell_length_b 4.46315498
_cell_length_c 4.46315498
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScNbCrNi
_chemical_formula_sum 'Sc1 Nb1 Cr1 Ni1'
_cell_volume 62.86528727
_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 4.73389073 4.73389073 4.73389073 1
Nb Nb1 1 1.57796358 1.57796358 1.57796358 1
Ni Ni2 1 3.15592715 3.15592715 3.15592715 1
Sc Sc3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| CrNbNiSc | F-43m | 216 | cubic | -43m | 6,565.307797 | false |
[CIF]
data_LiTaTl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.02856024
_cell_length_b 3.02856024
_cell_length_c 9.14222967
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 92.50905121
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiTaTl2
_chemical_formula_sum 'Li1 Ta1 Tl2'
_cell_volume 83.77376056
_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 0.00000000 1
Ta Ta1 1 0.00000000 0.00000000 4.57111483 1
Tl Tl2 1 2.09411614 0.00000000 6.93060309 1
Tl Tl3 1 2.09411614 0.00000000 2.21162658 1
[/CIF]
| LiTaTl2 | Cmmm | 65 | orthorhombic | mmm | 11,826.731034 | false |
[CIF]
data_Ba(TaGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.16390836
_cell_length_b 7.16390836
_cell_length_c 7.16390836
_cell_angle_alpha 145.56205582
_cell_angle_beta 145.56205582
_cell_angle_gamma 49.49771789
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ba(TaGe)2
_chemical_formula_sum 'Ba1 Ta2 Ge2'
_cell_volume 117.03701602
_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 0.00000000 0.00000000 0.00000000 1
Ge Ge1 1 -0.00000000 0.00000000 8.11425426 1
Ge Ge2 1 -0.00000000 0.00000000 4.89757414 1
Ta Ta3 1 0.00000000 2.12069132 3.25295710 1
Ta Ta4 1 2.12069132 -0.00000000 3.25295710 1
[/CIF]
| BaGe2Ta2 | I4/mmm | 139 | tetragonal | 4/mmm | 9,144.303639 | false |
[CIF]
data_TiNiIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03973505
_cell_length_b 4.03973505
_cell_length_c 4.03973505
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiNiIr
_chemical_formula_sum 'Ti1 Ni1 Ir1'
_cell_volume 46.61692796
_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
Ir Ir0 1 2.85652405 2.85652405 2.85652405 1
Ni Ni1 1 1.42826202 1.42826202 1.42826202 1
Ti Ti2 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| IrNiTi | F-43m | 216 | cubic | -43m | 10,642.733586 | false |
[CIF]
data_AlPPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.83459712
_cell_length_b 6.83459712
_cell_length_c 3.45280439
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlPPd
_chemical_formula_sum 'Al3 P3 Pd3'
_cell_volume 139.67814073
_cell_formula_units_Z 3
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 -2.46477870 4.26912194 1.72640219 1
Al Al1 1 0.95251986 1.64981279 1.72640219 1
Al Al2 1 4.92955740 0.00000000 1.72640219 1
P P3 1 -1.29297693 2.23950173 0.00000000 1
P P4 1 2.12432163 3.67943300 0.00000000 1
P P5 1 2.58595385 0.00000000 0.00000000 1
Pd Pd6 1 3.41729856 1.97297824 1.72640219 1
Pd Pd7 1 -0.00000000 3.94595649 1.72640219 1
Pd Pd8 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Al3P3Pd3 | P-62m | 189 | hexagonal | -6m2 | 5,861.822817 | false |
[CIF]
data_HgBiOs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.33415847
_cell_length_b 3.33415847
_cell_length_c 6.57513350
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HgBiOs2
_chemical_formula_sum 'Hg1 Bi1 Os2'
_cell_volume 73.09321259
_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 0.00000000 0.00000000 3.28756675 1
Hg Hg1 1 0.00000000 0.00000000 0.00000000 1
Os Os2 1 1.66707924 1.66707924 1.61678561 1
Os Os3 1 1.66707924 1.66707924 4.95834789 1
[/CIF]
| BiHgOs2 | P4/mmm | 123 | tetragonal | 4/mmm | 17,948.151772 | false |
[CIF]
data_TiReAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.77303491
_cell_length_b 2.77303491
_cell_length_c 8.67545218
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiReAu2
_chemical_formula_sum 'Ti1 Re1 Au2'
_cell_volume 66.71182080
_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 1.38651745 1.38651745 8.54969604 1
Au Au1 1 0.00000000 0.00000000 2.27021393 1
Re Re2 1 1.38651745 1.38651745 4.40558912 1
Ti Ti3 1 0.00000000 0.00000000 6.46313137 1
[/CIF]
| Au2ReTi | P4mm | 99 | tetragonal | 4mm | 15,631.86815 | false |
[CIF]
data_ZnInHgRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66890112
_cell_length_b 4.66890112
_cell_length_c 4.66890112
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnInHgRh
_chemical_formula_sum 'Zn1 In1 Hg1 Rh1'
_cell_volume 71.96627602
_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 1.65070582 1.65070582 1.65070582 1
In In1 1 4.95211746 4.95211746 4.95211746 1
Rh Rh2 1 3.30141164 3.30141164 3.30141164 1
Zn Zn3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| HgInRhZn | F-43m | 216 | cubic | -43m | 11,160.671323 | false |
[CIF]
data_LiRe2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.55582826
_cell_length_b 4.55582826
_cell_length_c 4.93340163
_cell_angle_alpha 95.03681432
_cell_angle_beta 95.03681432
_cell_angle_gamma 33.80837680
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiRe2Rh
_chemical_formula_sum 'Li1 Re2 Rh1'
_cell_volume 56.73427512
_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 1.81399026 0.00000000 3.62387648 1
Re Re1 1 -0.42948968 -0.00000000 4.90584837 1
Re Re2 1 6.50319096 -0.00000000 1.17834797 1
Rh Rh3 1 4.05752380 -0.00000000 2.57339738 1
[/CIF]
| LiRe2Rh | Cm | 8 | monoclinic | m | 14,115.142898 | false |
[CIF]
data_MgBe2As
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.96331878
_cell_length_b 2.96331878
_cell_length_c 6.75896093
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgBe2As
_chemical_formula_sum 'Mg1 Be2 As1'
_cell_volume 59.35218104
_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 1.48165939 1.48165939 5.22063284 1
Be Be1 1 0.00000000 0.00000000 0.11348823 1
Be Be2 1 1.48165939 1.48165939 1.56450919 1
Mg Mg3 1 0.00000000 0.00000000 3.23981113 1
[/CIF]
| AsBe2Mg | P4mm | 99 | tetragonal | 4mm | 3,280.41536 | false |
[CIF]
data_Ti2Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.23066361
_cell_length_b 8.23066361
_cell_length_c 8.23066361
_cell_angle_alpha 152.46186417
_cell_angle_beta 152.46186417
_cell_angle_gamma 39.33920827
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2Cd
_chemical_formula_sum 'Ti4 Cd2'
_cell_volume 118.97096365
_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
Cd Cd0 1 0.00000000 1.95897316 3.87519908 1
Cd Cd1 1 0.00000000 0.00000000 0.00000000 1
Ti Ti2 1 1.95897317 -0.00000000 2.43764221 1
Ti Ti3 1 1.95897317 0.00000000 5.31275595 1
Ti Ti4 1 0.00000000 -0.00000000 6.31284129 1
Ti Ti5 1 -0.00000000 0.00000000 9.18795504 1
[/CIF]
| Cd4Ti8 | I4_1/amd | 141 | tetragonal | 4/mmm | 5,810.942974 | false |
[CIF]
data_HgRhAu4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47302500
_cell_length_b 5.47302500
_cell_length_c 5.47302500
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HgRhAu4
_chemical_formula_sum 'Hg1 Rh1 Au4'
_cell_volume 115.92238229
_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 4.83887089 4.83887089 2.90115529 1
Au Au1 1 4.83887089 2.90115529 4.83887089 1
Au Au2 1 2.90115529 4.83887089 4.83887089 1
Au Au3 1 2.90115529 2.90115529 2.90115529 1
Hg Hg4 1 5.80501964 5.80501964 5.80501963 1
Rh Rh5 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Au4HgRh | F-43m | 216 | cubic | -43m | 15,633.295564 | false |
[CIF]
data_AlVOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.76788726
_cell_length_b 6.54529299
_cell_length_c 2.70784926
_cell_angle_alpha 82.92008787
_cell_angle_beta 73.68590487
_cell_angle_gamma 23.39400726
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlVOs
_chemical_formula_sum 'Al1 V1 Os1'
_cell_volume 42.76491229
_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 1.47800710 2.26890780 0.00272138 1
Os Os1 1 1.47800710 2.26890780 8.53062716 1
V V2 1 1.47800710 2.26890780 4.21911872 1
[/CIF]
| AlOsV | Fmm2 | 42 | orthorhombic | mm2 | 10,412.241545 | false |
[CIF]
data_BeOsPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30968179
_cell_length_b 4.30968179
_cell_length_c 4.30968179
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeOsPd2
_chemical_formula_sum 'Be1 Os1 Pd2'
_cell_volume 56.60054553
_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
Os Os1 1 3.04740522 3.04740522 3.04740522 1
Pd Pd2 1 1.52370261 1.52370261 1.52370261 1
Pd Pd3 1 4.57110783 4.57110783 4.57110783 1
[/CIF]
| BeOsPd2 | Fm-3m | 225 | cubic | m-3m | 12,089.610717 | false |
[CIF]
data_LaScPd4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.45230650
_cell_length_b 5.45230650
_cell_length_c 5.45230650
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaScPd4
_chemical_formula_sum 'La1 Sc1 Pd4'
_cell_volume 114.61086419
_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 1.92768145 1.92768145 1.92768145 1
Pd Pd1 1 2.88637061 2.88637061 4.82435519 1
Pd Pd2 1 2.88637061 4.82435519 2.88637061 1
Pd Pd3 1 4.82435519 2.88637061 2.88637061 1
Pd Pd4 1 4.82435519 4.82435519 4.82435519 1
Sc Sc5 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| LaPd4Sc | F-43m | 216 | cubic | -43m | 8,831.337977 | false |
[CIF]
data_Pb3SO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.35690740
_cell_length_b 5.88510313
_cell_length_c 8.32175049
_cell_angle_alpha 90.00000000
_cell_angle_beta 103.90319920
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pb3SO6
_chemical_formula_sum 'Pb6 S2 O12'
_cell_volume 349.74415044
_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
O O0 1 0.61717549 0.00228450 7.09136196 1
O O1 1 4.74016304 2.94483607 0.98658676 1
O O2 1 4.74016304 5.88281863 0.98658676 1
O O3 1 0.61717549 2.94026706 7.09136196 1
O O4 1 1.85403843 1.47127578 1.81010638 1
O O5 1 3.50330010 4.41382735 6.26784234 1
O O6 1 1.43684159 1.47127578 4.21517700 1
O O7 1 3.92049693 4.41382735 3.86277172 1
O O8 1 -0.08692292 2.68163724 2.71954635 1
O O9 1 5.44426145 5.62418880 5.35840237 1
O O10 1 5.44426145 3.20346589 5.35840237 1
O O11 1 -0.08692292 0.26091433 2.71954635 1
Pb Pb12 1 2.50122763 1.47127578 7.09683909 1
Pb Pb13 1 2.85611090 4.41382735 0.98110963 1
Pb Pb14 1 4.73030848 1.47127578 2.77844598 1
Pb Pb15 1 0.62703004 4.41382735 5.29950274 1
Pb Pb16 1 -1.03685188 1.47127578 7.36459189 1
Pb Pb17 1 6.39419041 4.41382735 0.71335682 1
S S18 1 0.78870360 1.47127578 2.88885704 1
S S19 1 4.56863493 4.41382735 5.18909167 1
[/CIF]
| O12Pb6S2 | P2_1/m | 11 | monoclinic | 2/m | 7,118.586777 | false |
[CIF]
data_HfIn2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.28439958
_cell_length_b 5.28439958
_cell_length_c 5.28439958
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfIn2Sn
_chemical_formula_sum 'Hf1 In2 Sn1'
_cell_volume 104.34507394
_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 3.73663478 3.73663478 3.73663478 1
In In1 1 5.60495217 5.60495217 5.60495217 1
In In2 1 1.86831739 1.86831739 1.86831739 1
Sn Sn3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| HfIn2Sn | Fm-3m | 225 | cubic | m-3m | 8,384.02549 | false |
[CIF]
data_ScCdGaRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60211713
_cell_length_b 4.60211713
_cell_length_c 4.60211713
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScCdGaRu
_chemical_formula_sum 'Sc1 Cd1 Ga1 Ru1'
_cell_volume 68.92202128
_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 1.62709412 1.62709411 1.62709412 1
Ga Ga1 1 4.88128235 4.88128235 4.88128234 1
Ru Ru2 1 3.25418823 3.25418823 3.25418823 1
Sc Sc3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| CdGaRuSc | F-43m | 216 | cubic | -43m | 7,906.360607 | false |
[CIF]
data_LiIrOsRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26341712
_cell_length_b 4.26341712
_cell_length_c 4.26341712
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiIrOsRu
_chemical_formula_sum 'Li1 Ir1 Os1 Ru1'
_cell_volume 54.79721392
_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
Ir Ir0 1 3.01469116 3.01469116 3.01469116 1
Li Li1 1 0.00000000 0.00000000 0.00000000 1
Os Os2 1 4.52203674 4.52203674 4.52203674 1
Ru Ru3 1 1.50734558 1.50734558 1.50734558 1
[/CIF]
| IrLiOsRu | F-43m | 216 | cubic | -43m | 14,862.519665 | false |
[CIF]
data_CoTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33188126
_cell_length_b 4.33188126
_cell_length_c 8.33070970
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CoTe2
_chemical_formula_sum 'Co2 Te4'
_cell_volume 135.38349467
_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
Co Co0 1 2.16594063 1.25050641 6.24803227 1
Co Co1 1 -0.00000000 2.50101281 2.08267742 1
Te Te2 1 0.00000000 0.00000000 4.16535485 1
Te Te3 1 0.00000000 0.00000000 0.00000000 1
Te Te4 1 2.16594063 1.25050641 2.08267742 1
Te Te5 1 -0.00000000 2.50101281 6.24803227 1
[/CIF]
| Co2Te4 | P6_3/mmc | 194 | hexagonal | 6/mmm | 7,705.968052 | false |
[CIF]
data_SrCdPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.42982712
_cell_length_b 5.42982712
_cell_length_c 5.42982712
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrCdPb
_chemical_formula_sum 'Sr1 Cd1 Pb1'
_cell_volume 113.19910942
_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 5.75920137 5.75920137 5.75920137 1
Pb Pb1 1 1.91973379 1.91973379 1.91973379 1
Sr Sr2 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| CdPbSr | F-43m | 216 | cubic | -43m | 5,973.748275 | false |
[CIF]
data_BaSrZn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.78305720
_cell_length_b 5.78305720
_cell_length_c 5.78305720
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaSrZn3
_chemical_formula_sum 'Ba1 Sr1 Zn3'
_cell_volume 193.40712258
_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
Sr Sr0 1 0.00000000 0.00000000 0.00000000 1
Zn Zn1 1 0.00000000 2.89152860 0.00000000 1
Zn Zn2 1 0.00000000 0.00000000 2.89152860 1
Zn Zn3 1 2.89152860 0.00000000 0.00000000 1
Ba Ba4 1 2.89152860 2.89152860 2.89152860 1
[/CIF]
| BaSrZn3 | Pm-3m | 221 | cubic | m-3m | 3,615.334351 | false |
[CIF]
data_ScV2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44117637
_cell_length_b 4.44117637
_cell_length_c 4.44117637
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScV2Pd
_chemical_formula_sum 'Sc1 V2 Pd1'
_cell_volume 61.94112150
_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 3.14038593 3.14038593 3.14038593 1
Sc Sc1 1 0.00000000 -0.00000000 0.00000000 1
V V2 1 4.71057890 4.71057890 4.71057890 1
V V3 1 1.57019297 1.57019297 1.57019297 1
[/CIF]
| PdScV2 | Fm-3m | 225 | cubic | m-3m | 6,789.452744 | false |
[CIF]
data_LaMgHg3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.08604865
_cell_length_b 6.08604865
_cell_length_c 6.08604865
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaMgHg3
_chemical_formula_sum 'La1 Mg1 Hg3'
_cell_volume 225.42717000
_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
Hg Hg1 1 3.04302433 0.00000000 3.04302433 1
Hg Hg2 1 3.04302433 3.04302433 0.00000000 1
Hg Hg3 1 0.00000000 3.04302433 3.04302433 1
La La4 1 3.04302433 3.04302433 3.04302433 1
[/CIF]
| Hg3LaMg | Pm-3m | 221 | cubic | m-3m | 5,634.990474 | false |
[CIF]
data_LaBP2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.02481078
_cell_length_b 4.02481078
_cell_length_c 4.35556064
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaBP2
_chemical_formula_sum 'La1 B1 P2'
_cell_volume 70.55617017
_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 0.00000000 1
La La1 1 2.01240539 2.01240539 0.00000000 1
P P2 1 2.01240539 0.00000000 2.17778032 1
P P3 1 0.00000000 2.01240539 2.17778032 1
[/CIF]
| BLaP2 | P4/mmm | 123 | tetragonal | 4/mmm | 4,981.577836 | false |
[CIF]
data_Nb3GaTc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69130518
_cell_length_b 4.69130518
_cell_length_c 4.69130518
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nb3GaTc
_chemical_formula_sum 'Nb3 Ga1 Tc1'
_cell_volume 103.24785958
_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 0.00000000 2.34565259 0.00000000 1
Nb Nb1 1 0.00000000 0.00000000 2.34565259 1
Nb Nb2 1 2.34565259 0.00000000 0.00000000 1
Tc Tc3 1 2.34565259 2.34565259 2.34565259 1
Ga Ga4 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| GaNb3Tc | Pm-3m | 221 | cubic | m-3m | 7,194.719561 | false |
[CIF]
data_Tc2MoPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.75616104
_cell_length_b 3.94160583
_cell_length_c 5.58031282
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tc2MoPt
_chemical_formula_sum 'Tc2 Mo1 Pt1'
_cell_volume 60.62284675
_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
Mo Mo0 1 0.00000000 0.00000000 0.00000000 1
Pt Pt1 1 0.00000000 0.00000000 2.79015641 1
Tc Tc2 1 1.37808052 1.97080291 4.26635573 1
Tc Tc3 1 1.37808052 1.97080291 1.31395709 1
[/CIF]
| MoPtTc2 | Pmmm | 47 | orthorhombic | mmm | 13,390.416216 | false |
[CIF]
data_Zr2CdHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.15181952
_cell_length_b 3.15181952
_cell_length_c 8.72906622
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr2CdHg
_chemical_formula_sum 'Zr2 Cd1 Hg1'
_cell_volume 86.71424954
_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 0.00000000 0.00000000 0.00000000 1
Hg Hg1 1 0.00000000 0.00000000 4.36453311 1
Zr Zr2 1 1.57590976 1.57590976 6.52446443 1
Zr Zr3 1 1.57590976 1.57590976 2.20460179 1
[/CIF]
| CdHgZr2 | P4/mmm | 123 | tetragonal | 4/mmm | 9,487.626594 | false |
[CIF]
data_Sc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.24981172
_cell_length_b 3.24981172
_cell_length_c 5.01110909
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sc
_chemical_formula_sum Sc2
_cell_volume 45.83327497
_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
Sc Sc0 1 -0.00000000 1.87627967 1.25277727 1
Sc Sc1 1 1.62490586 0.93813984 3.75833182 1
[/CIF]
| Sc2 | P6_3/mmc | 194 | hexagonal | 6/mmm | 3,257.50443 | false |
[CIF]
data_LiHo2Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.96274200
_cell_length_b 4.96274200
_cell_length_c 4.96274200
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiHo2Mo
_chemical_formula_sum 'Li1 Ho2 Mo1'
_cell_volume 86.42713070
_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
Ho Ho0 1 5.26378278 5.26378278 5.26378278 1
Ho Ho1 1 1.75459426 1.75459426 1.75459426 1
Li Li2 1 0.00000000 0.00000000 0.00000000 1
Mo Mo3 1 3.50918852 3.50918852 3.50918852 1
[/CIF]
| Ho2LiMo | Fm-3m | 225 | cubic | m-3m | 8,314.722517 | false |
[CIF]
data_GePOs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.84590724
_cell_length_b 3.82653048
_cell_length_c 5.26773812
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GePOs2
_chemical_formula_sum 'Ge1 P1 Os2'
_cell_volume 57.36540894
_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 1.42295362 1.91326524 4.13243562 1
Os Os1 1 0.00000000 0.00000000 5.15845162 1
Os Os2 1 1.42295362 1.91326524 1.59017174 1
P P3 1 0.00000000 0.00000000 2.28828632 1
[/CIF]
| GeOs2P | Pmm2 | 25 | orthorhombic | mm2 | 14,012.336141 | false |
[CIF]
data_ReGeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94225249
_cell_length_b 3.94225249
_cell_length_c 3.94225249
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ReGeO3
_chemical_formula_sum 'Re1 Ge1 O3'
_cell_volume 61.26794424
_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
O O1 1 1.97112625 1.97112625 0.00000000 1
O O2 1 1.97112625 0.00000000 1.97112625 1
O O3 1 0.00000000 1.97112625 1.97112625 1
Re Re4 1 1.97112625 1.97112625 1.97112625 1
[/CIF]
| GeO3Re | Pm-3m | 221 | cubic | m-3m | 8,316.395275 | false |
[CIF]
data_MnAgRuPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.63730887
_cell_length_b 4.63730887
_cell_length_c 4.63730887
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnAgRuPb
_chemical_formula_sum 'Mn1 Ag1 Ru1 Pb1'
_cell_volume 70.51525366
_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 1.63953628 1.63953628 1.63953628 1
Mn Mn1 1 0.00000000 0.00000000 0.00000000 1
Pb Pb2 1 3.27907255 3.27907255 3.27907255 1
Ru Ru3 1 4.91860883 4.91860883 4.91860883 1
[/CIF]
| AgMnPbRu | F-43m | 216 | cubic | -43m | 11,093.209874 | false |
[CIF]
data_K2CaCr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13666677
_cell_length_b 5.13666677
_cell_length_c 6.39412754
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K2CaCr
_chemical_formula_sum 'K2 Ca1 Cr1'
_cell_volume 168.71126435
_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
Cr Cr1 1 2.56833338 2.56833338 0.00000000 1
K K2 1 2.56833338 0.00000000 3.19706377 1
K K3 1 0.00000000 2.56833338 3.19706377 1
[/CIF]
| CaCrK2 | P4/mmm | 123 | tetragonal | 4/mmm | 1,675.887798 | false |
[CIF]
data_VHgPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52773173
_cell_length_b 4.52773173
_cell_length_c 4.52773173
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VHgPt2
_chemical_formula_sum 'V1 Hg1 Pt2'
_cell_volume 65.63372646
_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 1.60079491 1.60079491 1.60079491 1
Pt Pt1 1 4.80238472 4.80238472 4.80238472 1
Pt Pt2 1 3.20158981 3.20158981 3.20158981 1
V V3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| HgPt2V | F-43m | 216 | cubic | -43m | 16,235.05393 | false |
[CIF]
data_YHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.77884752
_cell_length_b 4.77884752
_cell_length_c 4.77884752
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YHg
_chemical_formula_sum 'Y1 Hg1'
_cell_volume 77.17107034
_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 5.06873323 5.06873323 5.06873324 1
Y Y1 1 -0.00000000 0.00000000 -0.00000000 1
[/CIF]
| HgY | F-43m | 216 | cubic | -43m | 6,229.266569 | false |
[CIF]
data_BaCrReTc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.65976914
_cell_length_b 4.65976914
_cell_length_c 4.65976914
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaCrReTc
_chemical_formula_sum 'Ba1 Cr1 Re1 Tc1'
_cell_volume 71.54482170
_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 1.64747718 1.64747718 1.64747718 1
Cr Cr1 1 0.00000000 0.00000000 0.00000000 1
Re Re2 1 3.29495436 3.29495436 3.29495436 1
Tc Tc3 1 4.94243154 4.94243154 4.94243154 1
[/CIF]
| BaCrReTc | F-43m | 216 | cubic | -43m | 11,011.558796 | false |
[CIF]
data_CaMgGaRe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72367355
_cell_length_b 4.72367355
_cell_length_c 4.72367355
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaMgGaRe
_chemical_formula_sum 'Ca1 Mg1 Ga1 Re1'
_cell_volume 74.52888620
_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 5.01021240 5.01021240 5.01021240 1
Ga Ga1 1 1.67007080 1.67007080 1.67007080 1
Mg Mg2 1 0.00000000 0.00000000 0.00000000 1
Re Re3 1 3.34014160 3.34014160 3.34014160 1
[/CIF]
| CaGaMgRe | F-43m | 216 | cubic | -43m | 7,136.726136 | false |
[CIF]
data_Zr17Sb12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.62542827
_cell_length_b 9.62542827
_cell_length_c 9.62542827
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr17Sb12
_chemical_formula_sum 'Zr17 Sb12'
_cell_volume 686.49644787
_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
Sb Sb0 1 4.50120193 -2.10197315 4.50120193 1
Sb Sb1 1 1.05604167 3.45527045 1.05604167 1
Sb Sb2 1 -1.05604167 7.65921675 1.05604167 1
Sb Sb3 1 1.05604167 7.65921675 -1.05604167 1
Sb Sb4 1 -1.05604167 1.05604167 7.65921675 1
Sb Sb5 1 1.05604167 -1.05604167 7.65921675 1
Sb Sb6 1 1.05604167 1.05604167 3.45527045 1
Sb Sb7 1 4.50120193 4.50120193 -2.10197315 1
Sb Sb8 1 7.65921675 1.05604167 -1.05604167 1
Sb Sb9 1 7.65921675 -1.05604167 1.05604167 1
Sb Sb10 1 -2.10197315 4.50120193 4.50120193 1
Sb Sb11 1 3.45527045 1.05604167 1.05604167 1
Zr Zr12 1 1.64385955 6.29231644 1.64385955 1
Zr Zr13 1 3.91338405 0.73507284 3.91338405 1
Zr Zr14 1 1.64385955 4.82217076 -1.64385955 1
Zr Zr15 1 -1.64385955 4.82217076 1.64385955 1
Zr Zr16 1 1.64385955 -1.64385955 4.82217076 1
Zr Zr17 1 -1.64385955 1.64385955 4.82217076 1
Zr Zr18 1 3.91338405 3.91338405 0.73507284 1
Zr Zr19 1 1.64385955 1.64385955 6.29231644 1
Zr Zr20 1 4.82217076 -1.64385955 1.64385955 1
Zr Zr21 1 4.82217076 1.64385955 -1.64385955 1
Zr Zr22 1 6.29231644 1.64385955 1.64385955 1
Zr Zr23 1 0.73507284 3.91338405 3.91338405 1
Zr Zr24 1 1.57978894 -1.57978894 1.57978894 1
Zr Zr25 1 3.97745466 3.97745466 3.97745466 1
Zr Zr26 1 1.57978894 1.57978894 -1.57978894 1
Zr Zr27 1 -1.57978894 1.57978894 1.57978894 1
Zr Zr28 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Sb12Zr17 | I-43m | 217 | cubic | -43m | 7,285.433341 | false |
[CIF]
data_TaCdOs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.18921514
_cell_length_b 3.18921514
_cell_length_c 6.58364762
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaCdOs2
_chemical_formula_sum 'Ta1 Cd1 Os2'
_cell_volume 66.96289339
_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 0.00000000 0.00000000 0.00000000 1
Os Os1 1 1.59460757 1.59460757 1.79514621 1
Os Os2 1 1.59460757 1.59460757 4.78850141 1
Ta Ta3 1 0.00000000 0.00000000 3.29182381 1
[/CIF]
| CdOs2Ta | P4/mmm | 123 | tetragonal | 4/mmm | 16,709.390144 | false |
[CIF]
data_VSiNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.19965327
_cell_length_b 5.19965327
_cell_length_c 5.19965327
_cell_angle_alpha 149.66960761
_cell_angle_beta 149.66960761
_cell_angle_gamma 43.42659995
_symmetry_Int_Tables_number 1
_chemical_formula_structural VSiNi
_chemical_formula_sum 'V1 Si1 Ni1'
_cell_volume 35.75246062
_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
Ni Ni0 1 0.00000000 0.00000000 9.49983863 1
Si Si1 1 -0.00000000 0.00000000 3.34892599 1
V V2 1 0.00000000 0.00000000 6.47411859 1
[/CIF]
| NiSiV | I4mm | 107 | tetragonal | 4mm | 6,396.485739 | false |
[CIF]
data_Ta2AsCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.45123456
_cell_length_b 4.45123456
_cell_length_c 3.33459702
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ta2AsCl
_chemical_formula_sum 'Ta2 As1 Cl1'
_cell_volume 66.07000174
_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 2.22561728 2.22561728 0.00000000 1
Cl Cl1 1 0.00000000 0.00000000 0.00000000 1
Ta Ta2 1 0.00000000 2.22561728 1.66729851 1
Ta Ta3 1 2.22561728 0.00000000 1.66729851 1
[/CIF]
| AsClTa2 | P4/mmm | 123 | tetragonal | 4/mmm | 11,869.583202 | false |
[CIF]
data_CrInReTc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42383227
_cell_length_b 4.42383227
_cell_length_c 4.42383227
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrInReTc
_chemical_formula_sum 'Cr1 In1 Re1 Tc1'
_cell_volume 61.21825701
_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
In In1 1 4.69218270 4.69218270 4.69218270 1
Re Re2 1 1.56406090 1.56406090 1.56406090 1
Tc Tc3 1 3.12812180 3.12812180 3.12812180 1
[/CIF]
| CrInReTc | F-43m | 216 | cubic | -43m | 12,258.482576 | false |
[CIF]
data_SrTiAs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.59056120
_cell_length_b 3.59056120
_cell_length_c 7.26928277
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrTiAs2
_chemical_formula_sum 'Sr1 Ti1 As2'
_cell_volume 93.71653652
_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 1.79528060 1.79528060 6.31046096 1
As As1 1 0.00000000 0.00000000 1.87177009 1
Sr Sr2 1 1.79528060 1.79528060 3.44006289 1
Ti Ti3 1 0.00000000 0.00000000 6.55091298 1
[/CIF]
| As2SrTi | P4mm | 99 | tetragonal | 4mm | 5,055.692 | false |
[CIF]
data_CsMg6WO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70610800
_cell_length_b 4.70610800
_cell_length_c 9.02193900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CsMg6WO8
_chemical_formula_sum 'Cs1 Mg6 W1 O8'
_cell_volume 199.81296553
_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 4.51096950 1
Mg Mg1 1 0.00000000 0.00000000 0.00000000 1
Mg Mg2 1 2.35305400 2.35305400 0.00000000 1
Mg Mg3 1 0.00000000 2.35305400 6.94608106 1
Mg Mg4 1 0.00000000 2.35305400 2.07585794 1
Mg Mg5 1 2.35305400 0.00000000 6.94608106 1
Mg Mg6 1 2.35305400 0.00000000 2.07585794 1
W W7 1 2.35305400 2.35305400 4.51096950 1
O O8 1 0.00000000 0.00000000 7.12254116 1
O O9 1 0.00000000 0.00000000 1.89939784 1
O O10 1 2.35305400 2.35305400 6.78436280 1
O O11 1 2.35305400 2.35305400 2.23757620 1
O O12 1 0.00000000 2.35305400 4.51096950 1
O O13 1 0.00000000 2.35305400 0.00000000 1
O O14 1 2.35305400 0.00000000 4.51096950 1
O O15 1 2.35305400 0.00000000 0.00000000 1
[/CIF]
| CsMg6O8W | P4/mmm | 123 | tetragonal | 4/mmm | 4,907.917945 | false |
[CIF]
data_CoB2Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.52334515
_cell_length_b 3.52334515
_cell_length_c 4.42502112
_cell_angle_alpha 101.85824878
_cell_angle_beta 101.85824878
_cell_angle_gamma 44.88042836
_symmetry_Int_Tables_number 1
_chemical_formula_structural CoB2Ir
_chemical_formula_sum 'Co1 B2 Ir1'
_cell_volume 37.79155950
_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 0.86597087 -0.00000000 3.54494009 1
B B1 1 4.66333519 -0.00000000 0.76933331 1
Co Co2 1 -0.00000000 -0.00000000 0.00000000 1
Ir Ir3 1 2.76465303 -0.00000000 2.15713670 1
[/CIF]
| B2CoIr | C2/m | 12 | monoclinic | 2/m | 11,985.451038 | false |
[CIF]
data_LaNbCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.54673735
_cell_length_b 4.54673735
_cell_length_c 4.54673735
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaNbCo
_chemical_formula_sum 'La1 Nb1 Co1'
_cell_volume 66.46371349
_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
La La1 1 4.82254322 4.82254322 4.82254321 1
Nb Nb2 1 1.60751440 1.60751441 1.60751441 1
[/CIF]
| CoLaNb | F-43m | 216 | cubic | -43m | 7,264.016413 | false |
[CIF]
data_TlPb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.28495869
_cell_length_b 9.28495869
_cell_length_c 5.90185289
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 158.19877518
_symmetry_Int_Tables_number 1
_chemical_formula_structural TlPb2
_chemical_formula_sum 'Tl2 Pb4'
_cell_volume 188.96258852
_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
Pb Pb0 1 1.75584083 -1.98595638 4.42638967 1
Pb Pb1 1 1.75584083 -8.13469830 4.42638967 1
Pb Pb2 1 1.75584083 8.13469830 1.47546322 1
Pb Pb3 1 1.75584083 1.98595638 1.47546322 1
Tl Tl4 1 1.75584083 4.04922927 4.42638967 1
Tl Tl5 1 1.75584083 -4.04922927 1.47546322 1
[/CIF]
| Pb4Tl2 | Cmcm | 63 | orthorhombic | mmm | 10,875.315071 | false |
[CIF]
data_BaIrPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.88286856
_cell_length_b 4.88286856
_cell_length_c 4.88286856
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaIrPt2
_chemical_formula_sum 'Ba1 Ir1 Pt2'
_cell_volume 82.32089880
_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 0.00000000 0.00000000 0.00000000 1
Ir Ir1 1 3.45270947 3.45270947 3.45270947 1
Pt Pt2 1 1.72635474 1.72635474 1.72635474 1
Pt Pt3 1 5.17906420 5.17906420 5.17906420 1
[/CIF]
| BaIrPt2 | Fm-3m | 225 | cubic | m-3m | 14,517.697329 | false |
[CIF]
data_VPd2Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.49051287
_cell_length_b 6.07350144
_cell_length_c 6.07350144
_cell_angle_alpha 29.26958549
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VPd2Se
_chemical_formula_sum 'V1 Pd2 Se1'
_cell_volume 62.95132048
_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 1.74525644 -0.00000000 0.62963524 1
Pd Pd1 1 0.00000000 -0.00000000 8.01047120 1
Se Se2 1 1.74525644 -0.00000000 9.82288562 1
V V3 1 0.00000000 0.00000000 4.97605640 1
[/CIF]
| Pd2SeV | Amm2 | 38 | orthorhombic | mm2 | 9,040.889585 | false |
[CIF]
data_SrYP2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29554946
_cell_length_b 5.29554946
_cell_length_c 3.24434009
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrYP2
_chemical_formula_sum 'Sr1 Y1 P2'
_cell_volume 90.98052315
_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
P P0 1 2.64777473 0.00000000 1.62217005 1
P P1 1 0.00000000 2.64777473 1.62217005 1
Sr Sr2 1 0.00000000 0.00000000 0.00000000 1
Y Y3 1 2.64777473 2.64777473 0.00000000 1
[/CIF]
| P2SrY | P4/mmm | 123 | tetragonal | 4/mmm | 4,352.518394 | false |
[CIF]
data_GaFeTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.05357132
_cell_length_b 5.05357132
_cell_length_c 5.05357132
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaFeTe2
_chemical_formula_sum 'Ga1 Fe1 Te2'
_cell_volume 91.25994441
_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
Ga Ga1 1 5.36012183 5.36012183 5.36012183 1
Te Te2 1 3.57341455 3.57341455 3.57341455 1
Te Te3 1 1.78670728 1.78670728 1.78670728 1
[/CIF]
| FeGaTe2 | F-43m | 216 | cubic | -43m | 6,928.342368 | false |
[CIF]
data_BaMnMoPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.75458665
_cell_length_b 4.75458665
_cell_length_c 4.75458665
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaMnMoPt
_chemical_formula_sum 'Ba1 Mn1 Mo1 Pt1'
_cell_volume 76.00169905
_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 3.36200046 3.36200046 3.36200046 1
Mn Mn1 1 0.00000000 0.00000000 0.00000000 1
Mo Mo2 1 5.04300069 5.04300069 5.04300069 1
Pt Pt3 1 1.68100023 1.68100023 1.68100023 1
[/CIF]
| BaMnMoPt | F-43m | 216 | cubic | -43m | 10,559.679066 | false |
[CIF]
data_CsSc3Ga
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.39688075
_cell_length_b 5.39688075
_cell_length_c 5.39688075
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CsSc3Ga
_chemical_formula_sum 'Cs1 Sc3 Ga1'
_cell_volume 157.19128560
_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 2.69844038 2.69844038 2.69844038 1
Sc Sc1 1 0.00000000 2.69844038 0.00000000 1
Sc Sc2 1 0.00000000 0.00000000 2.69844038 1
Sc Sc3 1 2.69844038 0.00000000 0.00000000 1
Ga Ga4 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| CsGaSc3 | Pm-3m | 221 | cubic | m-3m | 3,565.246017 | false |
[CIF]
data_LaMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.38745122
_cell_length_b 7.38745122
_cell_length_c 7.38745122
_cell_angle_alpha 152.82245428
_cell_angle_beta 152.82245428
_cell_angle_gamma 38.81344688
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaMg2
_chemical_formula_sum 'La1 Mg2'
_cell_volume 83.96477942
_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 0.00000000 1
Mg Mg1 1 0.00000000 -0.00000000 4.46974675 1
Mg Mg2 1 0.00000000 0.00000000 9.46570001 1
[/CIF]
| LaMg2 | I4/mmm | 139 | tetragonal | 4/mmm | 3,708.421146 | false |
[CIF]
data_MnTlMoAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.65877696
_cell_length_b 4.65877696
_cell_length_c 4.65877696
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnTlMoAu
_chemical_formula_sum 'Mn1 Tl1 Mo1 Au1'
_cell_volume 71.49913027
_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 1.64712639 1.64712639 1.64712639 1
Mn Mn1 1 0.00000000 0.00000000 0.00000000 1
Mo Mo2 1 4.94137917 4.94137917 4.94137917 1
Tl Tl3 1 3.29425278 3.29425278 3.29425278 1
[/CIF]
| AuMnMoTl | F-43m | 216 | cubic | -43m | 12,825.739728 | false |
[CIF]
data_ScSeBr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.54676827
_cell_length_b 4.54676827
_cell_length_c 4.54870474
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScSeBr2
_chemical_formula_sum 'Sc1 Se1 Br2'
_cell_volume 94.03583570
_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 2.27338414 0.00000000 2.27435237 1
Br Br1 1 0.00000000 2.27338414 2.27435237 1
Sc Sc2 1 0.00000000 0.00000000 0.00000000 1
Se Se3 1 2.27338414 2.27338414 0.00000000 1
[/CIF]
| Br2ScSe | P4/mmm | 123 | tetragonal | 4/mmm | 5,010.160611 | false |
[CIF]
data_Sc2TaTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.56146564
_cell_length_b 5.56146564
_cell_length_c 5.56146564
_cell_angle_alpha 135.16908038
_cell_angle_beta 135.16908038
_cell_angle_gamma 65.26760002
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sc2TaTe
_chemical_formula_sum 'Sc2 Ta1 Te1'
_cell_volume 84.25350177
_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
Sc Sc0 1 0.00000000 2.12069712 2.34175082 1
Sc Sc1 1 0.00000000 0.00000000 0.00000000 1
Ta Ta2 1 2.12069712 0.00000000 2.34175082 1
Te Te3 1 0.00000000 0.00000000 4.68350163 1
[/CIF]
| Sc2TaTe | I-4m2 | 119 | tetragonal | -42m | 7,853.17988 | false |
[CIF]
data_Sr2HfTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.68011732
_cell_length_b 6.68011732
_cell_length_c 6.68011732
_cell_angle_alpha 137.60691112
_cell_angle_beta 137.60691112
_cell_angle_gamma 61.50556885
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr2HfTe
_chemical_formula_sum 'Sr2 Hf1 Te1'
_cell_volume 133.96121672
_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 2.41531893 2.87038483 1
Sr Sr1 1 0.00000000 0.00000000 0.00000000 1
Sr Sr2 1 2.41531893 -0.00000000 2.87038483 1
Te Te3 1 0.00000000 0.00000000 5.74076966 1
[/CIF]
| HfSr2Te | I-4m2 | 119 | tetragonal | -42m | 5,966.407954 | false |
[CIF]
data_TaGeOs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.43707950
_cell_length_b 4.43707950
_cell_length_c 4.43707950
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaGeOs2
_chemical_formula_sum 'Ta1 Ge1 Os2'
_cell_volume 61.76986202
_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
Os Os1 1 4.70623350 4.70623350 4.70623350 1
Os Os2 1 1.56874450 1.56874450 1.56874450 1
Ta Ta3 1 3.13748900 3.13748900 3.13748900 1
[/CIF]
| GeOs2Ta | Fm-3m | 225 | cubic | m-3m | 17,044.902487 | false |
[CIF]
data_Ba2AlSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07558232
_cell_length_b 4.07558232
_cell_length_c 8.32792946
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ba2AlSe
_chemical_formula_sum 'Ba2 Al1 Se1'
_cell_volume 138.33000027
_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
Ba Ba1 1 2.03779116 2.03779116 2.24126234 1
Ba Ba2 1 2.03779116 2.03779116 6.08666712 1
Se Se3 1 0.00000000 0.00000000 4.16396473 1
[/CIF]
| AlBa2Se | P4/mmm | 123 | tetragonal | 4/mmm | 4,568.754711 | false |
[CIF]
data_TlVOs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.78838925
_cell_length_b 4.78838925
_cell_length_c 4.78838925
_cell_angle_alpha 129.78182382
_cell_angle_beta 129.78182382
_cell_angle_gamma 73.75579669
_symmetry_Int_Tables_number 1
_chemical_formula_structural TlVOs2
_chemical_formula_sum 'Tl1 V1 Os2'
_cell_volume 63.25677269
_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 2.03191973 0.00000000 1.91515509 1
Os Os1 1 -0.00000000 2.03191973 1.91515509 1
Tl Tl2 1 0.00000000 -0.00000000 3.83031018 1
V V3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Os2TlV | I4/mmm | 139 | tetragonal | 4/mmm | 16,689.841316 | false |
[CIF]
data_BaLa2Ti
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76236812
_cell_length_b 5.76236812
_cell_length_c 5.76236812
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaLa2Ti
_chemical_formula_sum 'Ba1 La2 Ti1'
_cell_volume 135.29694747
_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 6.11191435 6.11191435 6.11191435 1
La La1 1 2.03730478 2.03730478 2.03730478 1
La La2 1 4.07460957 4.07460957 4.07460957 1
Ti Ti3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| BaLa2Ti | F-43m | 216 | cubic | -43m | 5,682.595249 | false |
[CIF]
data_SrBPO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.83486525
_cell_length_b 6.83486525
_cell_length_c 6.81234700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrBPO5
_chemical_formula_sum 'Sr3 B3 P3 O15'
_cell_volume 275.60513583
_cell_formula_units_Z 3
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 6.15686712 0.00000000 4.54156467 1
B B1 1 0.33899906 0.58716360 0.00000000 1
B B2 1 -3.07843356 5.33200333 2.27078233 1
O O3 1 0.15852792 0.27457840 3.40617350 1
O O4 1 1.73837129 4.80716216 4.28386685 1
O O5 1 2.35670128 2.42846224 4.40646682 1
O O6 1 -1.06073134 3.49070469 4.67666251 1
O O7 1 5.15580391 1.11200477 4.79926248 1
O O8 1 -3.25890471 5.64458853 5.67695583 1
O O9 1 -0.12349371 2.01011216 6.55464919 1
O O10 1 4.34219198 2.66397263 6.67724916 1
O O11 1 0.13597199 5.09243488 0.13509784 1
O O12 1 1.80255505 0.89810739 0.25769781 1
O O13 1 6.51780941 0.00000000 1.13539117 1
O O14 1 -1.61487758 5.02105955 2.01308452 1
O O15 1 3.55340461 0.82673206 2.13568449 1
O O16 1 0.92475935 3.25519430 2.40588018 1
O O17 1 3.29393891 3.90905478 2.52848015 1
P P18 1 2.02649399 3.50999055 3.40617350 1
P P19 1 -1.39093863 2.40917638 5.67695583 1
P P20 1 2.78187727 0.00000000 1.13539117 1
Sr Sr21 1 2.69565131 0.00000000 4.54156467 1
Sr Sr22 1 2.06960697 3.58466442 0.00000000 1
Sr Sr23 1 -1.34782565 2.33450251 2.27078233 1
[/CIF]
| B3O15P3Sr3 | P3_221 | 154 | trigonal | 32 | 3,784.978251 | false |
[CIF]
data_GaAg2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.84601030
_cell_length_b 2.84601030
_cell_length_c 9.07819833
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 111.09268515
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaAg2Pd
_chemical_formula_sum 'Ga1 Ag2 Pd1'
_cell_volume 68.60472181
_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 1.61010037 0.00000000 6.79980695 1
Ag Ag1 1 1.61010037 0.00000000 2.27839138 1
Ga Ga2 1 0.00000000 0.00000000 0.00000000 1
Pd Pd3 1 0.00000000 0.00000000 4.53909916 1
[/CIF]
| Ag2GaPd | Cmmm | 65 | orthorhombic | mmm | 9,485.222531 | false |
[CIF]
data_TlFe2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.09607286
_cell_length_b 3.09607286
_cell_length_c 6.55819870
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TlFe2Pd
_chemical_formula_sum 'Tl1 Fe2 Pd1'
_cell_volume 62.86470987
_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 0.29563966 1
Fe Fe1 1 1.54803643 1.54803643 1.47011533 1
Pd Pd2 1 0.00000000 0.00000000 3.06481900 1
Tl Tl3 1 1.54803643 1.54803643 5.00672406 1
[/CIF]
| Fe2PdTl | P4mm | 99 | tetragonal | 4mm | 11,159.943814 | false |
[CIF]
data_Ca2HfNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.41576525
_cell_length_b 4.68071999
_cell_length_c 6.11449332
_cell_angle_alpha 90.00000000
_cell_angle_beta 100.43084063
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ca2HfNi
_chemical_formula_sum 'Ca2 Hf1 Ni1'
_cell_volume 96.14442509
_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 1.13273232 2.34036000 1.38084708 1
Ca Ca1 1 1.17601280 2.34036000 4.63259911 1
Hf Hf2 1 -0.55351006 0.00000000 3.00672309 1
Ni Ni3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Ca2HfNi | P2/m | 10 | monoclinic | 2/m | 5,480.863509 | false |
[CIF]
data_NaMnPdPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.54070326
_cell_length_b 4.54070326
_cell_length_c 4.54070326
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaMnPdPt
_chemical_formula_sum 'Na1 Mn1 Pd1 Pt1'
_cell_volume 66.19944786
_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 4.81614311 4.81614311 4.81614311 1
Na Na1 1 0.00000000 0.00000000 0.00000000 1
Pd Pd2 1 1.60538104 1.60538104 1.60538104 1
Pt Pt3 1 3.21076207 3.21076207 3.21076207 1
[/CIF]
| MnNaPdPt | F-43m | 216 | cubic | -43m | 9,517.622444 | false |
[CIF]
data_BaVPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.39032069
_cell_length_b 5.39032069
_cell_length_c 5.39032069
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaVPb
_chemical_formula_sum 'Ba1 V1 Pb1'
_cell_volume 110.74619467
_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 3.81153231 3.81153231 3.81153231 1
Pb Pb1 1 5.71729847 5.71729847 5.71729847 1
V V2 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| BaPbV | F-43m | 216 | cubic | -43m | 5,929.692626 | false |
[CIF]
data_La2CdIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.82756802
_cell_length_b 5.82756802
_cell_length_c 3.66126273
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 101.97332371
_symmetry_Int_Tables_number 1
_chemical_formula_structural La2CdIn
_chemical_formula_sum 'La2 Cd1 In1'
_cell_volume 121.63342135
_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 -0.00000000 0.00000000 0.00000000 1
In In1 1 3.66846158 -0.00000000 0.00000000 1
La La2 1 1.83423079 -2.26400854 1.83063137 1
La La3 1 1.83423079 2.26400854 1.83063137 1
[/CIF]
| CdInLa2 | Cmmm | 65 | orthorhombic | mmm | 6,894.920929 | false |
[CIF]
data_Cu2MoOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82773023
_cell_length_b 4.82773023
_cell_length_c 4.82773023
_cell_angle_alpha 135.27273147
_cell_angle_beta 135.27273147
_cell_angle_gamma 65.10673056
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cu2MoOs
_chemical_formula_sum 'Cu2 Mo1 Os1'
_cell_volume 54.92016511
_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 1.83687164 2.03462431 1
Cu Cu1 1 1.83687164 0.00000000 2.03462431 1
Mo Mo2 1 0.00000000 0.00000000 0.00000000 1
Os Os3 1 0.00000000 0.00000000 4.06924862 1
[/CIF]
| Cu2MoOs | I4/mmm | 139 | tetragonal | 4/mmm | 12,495.791029 | false |
[CIF]
data_AlBi4Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.52640146
_cell_length_b 6.52640146
_cell_length_c 6.52640146
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlBi4Br
_chemical_formula_sum 'Al1 Bi4 Br1'
_cell_volume 196.56507563
_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
Bi Bi1 1 5.72510462 5.72510462 3.50462084 1
Bi Bi2 1 5.72510462 3.50462084 5.72510462 1
Bi Bi3 1 3.50462084 5.72510462 5.72510462 1
Bi Bi4 1 3.50462084 3.50462084 3.50462084 1
Br Br5 1 6.92229409 6.92229409 6.92229410 1
[/CIF]
| AlBi4Br | F-43m | 216 | cubic | -43m | 7,964.629937 | false |
[CIF]
data_K2CdIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.84065098
_cell_length_b 5.35903821
_cell_length_c 7.41598412
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K2CdIn
_chemical_formula_sum 'K2 Cd1 In1'
_cell_volume 152.63723391
_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 0.00000000 0.00000000 0.00000000 1
In In1 1 0.00000000 0.00000000 3.70799206 1
K K2 1 1.92032549 2.67951910 5.54158368 1
K K3 1 1.92032549 2.67951910 1.87440044 1
[/CIF]
| CdInK2 | Pmmm | 47 | orthorhombic | mmm | 3,322.750298 | false |
[CIF]
data_BeSiSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.10284768
_cell_length_b 4.61294785
_cell_length_c 4.74803456
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeSiSe2
_chemical_formula_sum 'Be1 Si1 Se2'
_cell_volume 67.95992216
_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
Se Se1 1 0.00000000 2.30647393 2.37401728 1
Se Se2 1 1.55142384 0.00000000 2.37401728 1
Si Si3 1 1.55142384 2.30647393 0.00000000 1
[/CIF]
| BeSe2Si | Pmmm | 47 | orthorhombic | mmm | 4,765.080203 | false |
[CIF]
data_LaTiGaTc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76686564
_cell_length_b 4.76686564
_cell_length_c 4.76686564
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaTiGaTc
_chemical_formula_sum 'La1 Ti1 Ga1 Tc1'
_cell_volume 76.59205737
_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 3.37068302 3.37068302 3.37068302 1
La La1 1 1.68534151 1.68534151 1.68534151 1
Tc Tc2 1 5.05602453 5.05602453 5.05602453 1
Ti Ti3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| GaLaTcTi | F-43m | 216 | cubic | -43m | 7,705.216149 | false |
[CIF]
data_AlCrPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.77973664
_cell_length_b 2.77973664
_cell_length_c 6.36542160
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlCrPt
_chemical_formula_sum 'Al1 Cr1 Pt1'
_cell_volume 42.59563623
_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 0.02522801 1
Cr Cr1 1 0.00000000 1.60488170 2.10759192 1
Pt Pt2 1 1.38986832 0.80244085 4.23260167 1
[/CIF]
| AlCrPt | P3m1 | 156 | trigonal | 3m | 10,683.959631 | false |
[CIF]
data_FeMoPb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.16163747
_cell_length_b 4.29867245
_cell_length_c 5.84564511
_cell_angle_alpha 90.00000000
_cell_angle_beta 94.65383687
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeMoPb2
_chemical_formula_sum 'Fe1 Mo1 Pb2'
_cell_volume 79.18531908
_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 1.34367409 0.00000000 2.91318625 1
Pb Pb2 1 0.25186255 2.14933622 4.41959107 1
Pb Pb3 1 2.43548563 2.14933622 1.40678143 1
[/CIF]
| FeMoPb2 | P2/m | 10 | monoclinic | 2/m | 11,873.482776 | false |
[CIF]
data_BeFeTc2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.36888911
_cell_length_b 8.36888911
_cell_length_c 8.36888911
_cell_angle_alpha 18.28891347
_cell_angle_beta 18.28891347
_cell_angle_gamma 18.28891347
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeFeTc2
_chemical_formula_sum 'Be1 Fe1 Tc2'
_cell_volume 50.41216906
_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
Fe Fe1 1 -0.00000000 -0.00000000 12.34015140 1
Tc Tc2 1 -0.00000000 0.00000000 18.47545848 1
Tc Tc3 1 -0.00000000 0.00000000 6.20484432 1
[/CIF]
| BeFeTc2 | R-3m | 166 | trigonal | -3m | 8,652.13918 | false |
[CIF]
data_ScTaFeRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41779975
_cell_length_b 4.41779975
_cell_length_c 4.41779975
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScTaFeRh
_chemical_formula_sum 'Sc1 Ta1 Fe1 Rh1'
_cell_volume 60.96815890
_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 3.12385616 3.12385616 3.12385616 1
Rh Rh1 1 1.56192808 1.56192808 1.56192808 1
Sc Sc2 1 0.00000000 0.00000000 0.00000000 1
Ta Ta3 1 4.68578424 4.68578424 4.68578424 1
[/CIF]
| FeRhScTa | F-43m | 216 | cubic | -43m | 10,476.509222 | false |
[CIF]
data_BeTe2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.32841096
_cell_length_b 3.32841096
_cell_length_c 7.13567981
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeTe2Pd
_chemical_formula_sum 'Be1 Te2 Pd1'
_cell_volume 79.05134092
_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
Pd Pd1 1 0.00000000 0.00000000 3.56783991 1
Te Te2 1 1.66420548 1.66420548 5.46806623 1
Te Te3 1 1.66420548 1.66420548 1.66761358 1
[/CIF]
| BePdTe2 | P4/mmm | 123 | tetragonal | 4/mmm | 7,785.436786 | false |
[CIF]
data_ZnAu2Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70068001
_cell_length_b 4.70068001
_cell_length_c 4.70068001
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnAu2Se
_chemical_formula_sum 'Zn1 Au2 Se1'
_cell_volume 73.44581712
_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 4.98582407 4.98582407 4.98582407 1
Au Au1 1 1.66194136 1.66194136 1.66194135 1
Se Se2 1 3.32388271 3.32388271 3.32388271 1
Zn Zn3 1 0.00000000 -0.00000000 0.00000000 1
[/CIF]
| Au2SeZn | Fm-3m | 225 | cubic | m-3m | 12,169.83634 | false |
[CIF]
data_SrTlIn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.99739023
_cell_length_b 3.99739023
_cell_length_c 7.60218115
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrTlIn2
_chemical_formula_sum 'Sr1 Tl1 In2'
_cell_volume 121.47623062
_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 0.05119780 1
In In1 1 1.99869512 1.99869512 1.60732209 1
Sr Sr2 1 0.00000000 0.00000000 3.79007600 1
Tl Tl3 1 1.99869512 1.99869512 5.95467583 1
[/CIF]
| In2SrTl | P4mm | 99 | tetragonal | 4mm | 7,130.633144 | false |
[CIF]
data_AlPd2Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66238054
_cell_length_b 4.66238054
_cell_length_c 4.66238054
_cell_angle_alpha 128.61056753
_cell_angle_beta 128.61056753
_cell_angle_gamma 75.63799924
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlPd2Pt
_chemical_formula_sum 'Al1 Pd2 Pt1'
_cell_volume 60.20244592
_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
Pd Pd1 1 2.02149624 -0.00000000 1.84152778 1
Pd Pd2 1 0.00000000 -0.00000000 3.68305555 1
Pt Pt3 1 -0.00000000 2.02149624 1.84152778 1
[/CIF]
| AlPd2Pt | I-4m2 | 119 | tetragonal | -42m | 11,995.818875 | false |