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_ScTcBi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99072661
_cell_length_b 4.99072661
_cell_length_c 3.52061903
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScTcBi2
_chemical_formula_sum 'Sc1 Tc1 Bi2'
_cell_volume 87.68929778
_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 2.49536331 0.00000000 1.76030952 1
Bi Bi1 1 0.00000000 2.49536331 1.76030952 1
Sc Sc2 1 0.00000000 0.00000000 0.00000000 1
Tc Tc3 1 2.49536331 2.49536331 0.00000000 1
[/CIF]
| Bi2ScTc | P4/mmm | 123 | tetragonal | 4/mmm | 10,639.027995 | false |
[CIF]
data_GaTe2Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.35770911
_cell_length_b 5.35770911
_cell_length_c 5.35770911
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaTe2Br
_chemical_formula_sum 'Ga1 Te2 Br1'
_cell_volume 108.74827891
_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 1.89423622 1.89423622 1.89423622 1
Ga Ga1 1 0.00000000 0.00000000 0.00000000 1
Te Te2 1 5.68270866 5.68270866 5.68270866 1
Te Te3 1 3.78847244 3.78847244 3.78847244 1
[/CIF]
| BrGaTe2 | F-43m | 216 | cubic | -43m | 6,181.53276 | false |
[CIF]
data_TaC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.05150977
_cell_length_b 3.05150977
_cell_length_c 2.88190847
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaC
_chemical_formula_sum 'Ta1 C1'
_cell_volume 23.24022589
_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
Ta Ta1 1 1.52575487 0.88089500 1.44095423 1
[/CIF]
| CTa | P-6m2 | 187 | hexagonal | -6m2 | 13,787.119249 | false |
[CIF]
data_LiAuF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47150232
_cell_length_b 5.47150232
_cell_length_c 5.47150232
_cell_angle_alpha 55.10108306
_cell_angle_beta 55.10108306
_cell_angle_gamma 55.10108306
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiAuF6
_chemical_formula_sum 'Li1 Au1 F6'
_cell_volume 102.62898210
_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
Au Au1 1 -0.00000000 -0.00000000 6.93866654 1
F F2 1 -1.58970381 0.05746011 5.80284383 1
F F3 1 0.84461382 1.34799383 5.80284383 1
F F4 1 0.74508999 -1.40545394 5.80284383 1
F F5 1 1.58970381 -0.05746011 8.07448924 1
F F6 1 -0.84461382 -1.34799383 8.07448924 1
F F7 1 -0.74508999 1.40545394 8.07448924 1
[/CIF]
| AuF6Li | R-3 | 148 | trigonal | -3 | 5,143.595772 | false |
[CIF]
data_Na(Mg4Al3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.12353576
_cell_length_b 9.12353576
_cell_length_c 9.16423985
_cell_angle_alpha 109.51260132
_cell_angle_beta 109.51260132
_cell_angle_gamma 109.11602861
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na(Mg4Al3)4
_chemical_formula_sum 'Na1 Mg16 Al12'
_cell_volume 589.17910172
_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
Na Na0 1 4.82751110 -0.00000000 2.09481448 1
Mg Mg1 1 -0.42812240 0.00000000 5.34924029 1
Mg Mg2 1 5.29225052 -0.00000000 7.48667187 1
Mg Mg3 1 1.78338417 0.00000000 2.56013126 1
Mg Mg4 1 7.10758297 0.00000000 4.91558554 1
Mg Mg5 1 0.44295586 2.14545972 7.47486939 1
Mg Mg6 1 1.52716214 2.34072607 4.50937037 1
Mg Mg7 1 1.52664270 -5.08956508 2.98035118 1
Mg Mg8 1 -1.80906888 -4.87058480 7.48881594 1
Mg Mg9 1 3.78319179 -4.47484195 5.12131286 1
Mg Mg10 1 3.77867814 2.98026105 2.37586752 1
Mg Mg11 1 3.77867814 -2.98026105 2.37586752 1
Mg Mg12 1 3.78319179 4.47484195 5.12131286 1
Mg Mg13 1 -1.80906888 4.87058480 7.48881594 1
Mg Mg14 1 1.52664270 5.08956508 2.98035118 1
Mg Mg15 1 1.52716214 -2.34072607 4.50937037 1
Mg Mg16 1 0.44295586 -2.14545972 7.47486939 1
Al Al17 1 2.36461881 0.00000000 6.15466144 1
Al Al18 1 7.73012720 0.00000000 1.35646406 1
Al Al19 1 -2.37179370 1.36173978 7.46047494 1
Al Al20 1 -0.93726623 1.38851959 2.75496786 1
Al Al21 1 4.33509898 1.39592105 4.78952311 1
Al Al22 1 0.97096194 2.72990106 1.39450676 1
Al Al23 1 0.97433836 -4.70086490 6.11246371 1
Al Al24 1 0.97433836 4.70086490 6.11246371 1
Al Al25 1 0.97096194 -2.72990106 1.39450676 1
Al Al26 1 4.33509898 -1.39592105 4.78952311 1
Al Al27 1 -0.93726623 -1.38851959 2.75496786 1
Al Al28 1 -2.37179370 -1.36173978 7.46047494 1
[/CIF]
| Al12Mg16Na | Cm | 8 | monoclinic | m | 2,073.346843 | false |
[CIF]
data_SrHfIn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.34161765
_cell_length_b 5.54969515
_cell_length_c 5.66616462
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrHfIn2
_chemical_formula_sum 'Sr1 Hf1 In2'
_cell_volume 105.07879194
_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 2.77484757 0.85213495 1
In In1 1 1.67080882 0.00000000 0.52396157 1
In In2 1 1.67080882 2.77484757 3.81650450 1
Sr Sr3 1 0.00000000 0.00000000 3.30664590 1
[/CIF]
| HfIn2Sr | Pmm2 | 25 | orthorhombic | mm2 | 7,834.200932 | false |
[CIF]
data_KDyAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.21848340
_cell_length_b 5.21848340
_cell_length_c 5.21848340
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KDyAu2
_chemical_formula_sum 'K1 Dy1 Au2'
_cell_volume 100.48886043
_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 5.53503750 5.53503750 5.53503750 1
Au Au1 1 1.84501250 1.84501250 1.84501250 1
Dy Dy2 1 3.69002500 3.69002500 3.69002500 1
K K3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Au2DyK | Fm-3m | 225 | cubic | m-3m | 9,840.9238 | false |
[CIF]
data_FeGeW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98717063
_cell_length_b 3.98717063
_cell_length_c 3.98717063
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeGeW
_chemical_formula_sum 'Fe1 Ge1 W1'
_cell_volume 44.82078585
_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
Ge Ge1 1 4.22903309 4.22903309 4.22903309 1
W W2 1 1.40967770 1.40967770 1.40967770 1
[/CIF]
| FeGeW | F-43m | 216 | cubic | -43m | 11,571.146158 | false |
[CIF]
data_SnTeCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.39780136
_cell_length_b 3.39780136
_cell_length_c 11.88594170
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SnTeCl2
_chemical_formula_sum 'Sn1 Te1 Cl2'
_cell_volume 137.22383974
_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 1.69890068 1.69890068 10.18403198 1
Cl Cl1 1 1.69890068 1.69890068 1.70190972 1
Sn Sn2 1 0.00000000 0.00000000 0.00000000 1
Te Te3 1 0.00000000 0.00000000 5.94297085 1
[/CIF]
| Cl2SnTe | P4/mmm | 123 | tetragonal | 4/mmm | 3,838.615517 | false |
[CIF]
data_AlCrBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.70313142
_cell_length_b 6.67929081
_cell_length_c 3.14738647
_cell_angle_alpha 76.81949573
_cell_angle_beta 75.97583387
_cell_angle_gamma 27.20467040
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlCrBi
_chemical_formula_sum 'Al1 Cr1 Bi1'
_cell_volume 62.47730529
_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 2.18940591 2.26109340 0.66995539 1
Bi Bi1 1 2.18940591 2.26109340 3.74151182 1
Cr Cr2 1 2.18940591 2.26109340 8.20906011 1
[/CIF]
| AlBiCr | Fmm2 | 42 | orthorhombic | mm2 | 7,653.42824 | false |
[CIF]
data_SnGeAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.46527271
_cell_length_b 5.46527271
_cell_length_c 5.46527271
_cell_angle_alpha 146.37039174
_cell_angle_beta 132.05051730
_cell_angle_gamma 59.83971615
_symmetry_Int_Tables_number 1
_chemical_formula_structural SnGeAs
_chemical_formula_sum 'Sn1 Ge1 As1'
_cell_volume 66.52370540
_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 -0.00000000 -0.00000000 9.46810268 1
Ge Ge1 1 0.00000000 -0.00000000 3.16682753 1
Sn Sn2 1 -0.00000000 -0.00000000 6.31260028 1
[/CIF]
| AsGeSn | Imm2 | 44 | orthorhombic | mm2 | 6,646.56894 | false |
[CIF]
data_Be2CoPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41987115
_cell_length_b 4.41987115
_cell_length_c 3.95975135
_cell_angle_alpha 106.84463332
_cell_angle_beta 106.84463332
_cell_angle_gamma 35.18054905
_symmetry_Int_Tables_number 1
_chemical_formula_structural Be2CoPt
_chemical_formula_sum 'Be2 Co1 Pt1'
_cell_volume 42.45912378
_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 -1.10845186 -0.00000000 3.61766199 1
Be Be1 1 5.90816852 -0.00000000 1.12953901 1
Co Co2 1 3.63265033 0.00000000 1.62597962 1
Pt Pt3 1 1.19792628 0.00000000 3.05770710 1
[/CIF]
| Be2CoPt | Cm | 8 | monoclinic | m | 10,639.306615 | false |
[CIF]
data_Be4AsSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72778597
_cell_length_b 4.72778597
_cell_length_c 4.72778597
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Be4AsSe
_chemical_formula_sum 'Be4 As1 Se1'
_cell_volume 74.72370977
_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 0.00000000 0.00000000 0.00000000 1
Be Be1 1 4.18464583 4.18464583 2.50145321 1
Be Be2 1 4.18464583 2.50145321 4.18464583 1
Be Be3 1 2.50145321 4.18464583 4.18464583 1
Be Be4 1 2.50145321 2.50145321 2.50145321 1
Se Se5 1 5.01457428 5.01457428 5.01457428 1
[/CIF]
| AsBe4Se | F-43m | 216 | cubic | -43m | 4,220.704921 | false |
[CIF]
data_Ti2MnPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02402617
_cell_length_b 5.02402617
_cell_length_c 5.02402617
_cell_angle_alpha 136.19089838
_cell_angle_beta 136.19089838
_cell_angle_gamma 63.68534105
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2MnPt
_chemical_formula_sum 'Ti2 Mn1 Pt1'
_cell_volume 59.97080361
_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 -0.00000000 -0.00000000 4.26791029 1
Pt Pt1 1 -0.00000000 1.87427062 2.13395515 1
Ti Ti2 1 0.00000000 0.00000000 0.00000000 1
Ti Ti3 1 1.87427062 0.00000000 2.13395515 1
[/CIF]
| MnPtTi2 | I-4m2 | 119 | tetragonal | -42m | 9,573.682287 | false |
[CIF]
data_NaMgSc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13003676
_cell_length_b 5.13003676
_cell_length_c 5.13003676
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaMgSc
_chemical_formula_sum 'Na1 Mg1 Sc1'
_cell_volume 95.46549599
_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 1.81374189 1.81374189 1.81374189 1
Na Na1 1 0.00000000 0.00000000 0.00000000 1
Sc Sc2 1 3.62748378 3.62748378 3.62748378 1
[/CIF]
| MgNaSc | F-43m | 216 | cubic | -43m | 1,604.620168 | false |
[CIF]
data_CdSeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.26723600
_cell_length_b 8.08946450
_cell_length_c 5.32815739
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CdSeO3
_chemical_formula_sum 'Cd4 Se4 O12'
_cell_volume 270.13003039
_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
Cd Cd0 1 0.00000000 0.00000000 0.00000000 1
Cd Cd1 1 0.00000000 4.04473225 0.00000000 1
Cd Cd2 1 3.13361800 0.00000000 2.66407870 1
Cd Cd3 1 3.13361800 4.04473225 2.66407870 1
O O4 1 2.05606824 4.73836961 0.71252490 1
O O5 1 2.05606824 7.39582714 0.71252490 1
O O6 1 0.58827329 2.02236613 1.07058379 1
O O7 1 3.72189129 2.02236613 1.59349491 1
O O8 1 5.18968624 4.73836961 1.95155380 1
O O9 1 5.18968624 7.39582714 1.95155380 1
O O10 1 1.07754976 0.69363736 3.37660359 1
O O11 1 1.07754976 3.35109489 3.37660359 1
O O12 1 2.54534471 6.06709838 3.73466248 1
O O13 1 5.67896271 6.06709838 4.25757360 1
O O14 1 4.21116776 0.69363736 4.61563249 1
O O15 1 4.21116776 3.35109489 4.61563249 1
Se Se16 1 2.99152196 6.06709838 0.07993510 1
Se Se17 1 6.12513996 6.06709838 2.58414360 1
Se Se18 1 0.14209604 2.02236613 2.74401379 1
Se Se19 1 3.27571404 2.02236613 5.24822229 1
[/CIF]
| Cd4O12Se4 | Pnma | 62 | orthorhombic | mmm | 5,885.786299 | false |
[CIF]
data_Sc2InSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98258858
_cell_length_b 4.32067294
_cell_length_c 5.89477612
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.88247510
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sc2InSb
_chemical_formula_sum 'Sc2 In1 Sb1'
_cell_volume 95.97540015
_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 0.35338555 0.00000000 2.35554155 1
Sb Sb1 1 0.24553629 2.16033647 4.59897349 1
Sc Sc2 1 2.25940115 0.00000000 4.96372035 1
Sc Sc3 1 2.32886156 2.16033647 2.02562747 1
[/CIF]
| InSbSc2 | Pm | 6 | monoclinic | m | 5,648.834042 | false |
[CIF]
data_YHgBiOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.06745482
_cell_length_b 5.06745482
_cell_length_c 5.06745482
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YHgBiOs
_chemical_formula_sum 'Y1 Hg1 Bi1 Os1'
_cell_volume 92.01415865
_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 5.37484751 5.37484751 5.37484751 1
Hg Hg1 1 3.58323167 3.58323167 3.58323167 1
Os Os2 1 1.79161584 1.79161584 1.79161584 1
Y Y3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| BiHgOsY | F-43m | 216 | cubic | -43m | 12,428.7789 | false |
[CIF]
data_Ba2BeNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.87960782
_cell_length_b 3.92427662
_cell_length_c 7.65847851
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.83109229
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ba2BeNi
_chemical_formula_sum 'Ba2 Be1 Ni1'
_cell_volume 116.53814912
_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 1.67358675 1.96213831 5.66601775 1
Ba Ba1 1 1.96130856 1.96213831 1.98855010 1
Be Be2 1 0.00000000 0.00000000 0.00000000 1
Ni Ni3 1 -0.12235625 0.00000000 3.82728392 1
[/CIF]
| Ba2BeNi | P2/m | 10 | monoclinic | 2/m | 4,878.243434 | false |
[CIF]
data_VRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.67989115
_cell_length_b 2.67989115
_cell_length_c 4.11474494
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 111.88547978
_symmetry_Int_Tables_number 1
_chemical_formula_structural VRu
_chemical_formula_sum 'V1 Ru1'
_cell_volume 27.42160016
_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
Ru Ru0 1 1.50079571 0.00000000 2.05737247 1
V V1 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| RuV | Cmmm | 65 | orthorhombic | mmm | 9,205.189808 | false |
[CIF]
data_ReRu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.48583071
_cell_length_b 5.48583071
_cell_length_c 4.33360406
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ReRu3
_chemical_formula_sum 'Re2 Ru6'
_cell_volume 112.94438992
_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
Re Re0 1 0.00000000 3.16724584 1.08340101 1
Re Re1 1 2.74291536 1.58362292 3.25020305 1
Ru Ru2 1 -1.36284557 3.95408509 3.25020305 1
Ru Ru3 1 0.00000000 1.59356733 3.25020305 1
Ru Ru4 1 1.38006979 0.79678366 1.08340101 1
Ru Ru5 1 1.36284557 3.95408509 3.25020305 1
Ru Ru6 1 2.74291536 3.15730143 1.08340101 1
Ru Ru7 1 4.10576092 0.79678366 1.08340101 1
[/CIF]
| Re2Ru6 | P6_3/mmc | 194 | hexagonal | 6/mmm | 14,404.358144 | false |
[CIF]
data_TaMnHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.21948457
_cell_length_b 3.24326923
_cell_length_c 7.18999590
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.00850282
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaMnHg2
_chemical_formula_sum 'Ta1 Mn1 Hg2'
_cell_volume 75.06382871
_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 -0.09409777 0.00000000 7.04739472 1
Hg Hg1 1 1.54651579 1.62163461 2.02710272 1
Mn Mn2 1 3.14210773 0.00000000 3.86929892 1
Ta Ta3 1 1.52806941 1.62163461 5.02840897 1
[/CIF]
| Hg2MnTa | Pm | 6 | monoclinic | m | 14,092.977599 | false |
[CIF]
data_LaTeRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.81560056
_cell_length_b 4.81560056
_cell_length_c 4.81560056
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaTeRu2
_chemical_formula_sum 'La1 Te1 Ru2'
_cell_volume 78.96531469
_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 3.40514381 3.40514381 3.40514381 1
Ru Ru1 1 5.10771572 5.10771572 5.10771572 1
Ru Ru2 1 1.70257191 1.70257191 1.70257191 1
Te Te3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| LaRu2Te | Fm-3m | 225 | cubic | m-3m | 9,855.011841 | false |
[CIF]
data_CaTlFe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.98168327
_cell_length_b 4.98168327
_cell_length_c 4.98168327
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaTlFe
_chemical_formula_sum 'Ca1 Tl1 Fe1'
_cell_volume 87.42051040
_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
Fe Fe1 1 5.28387303 5.28387303 5.28387303 1
Tl Tl2 1 1.76129101 1.76129101 1.76129101 1
[/CIF]
| CaFeTl | F-43m | 216 | cubic | -43m | 5,704.271696 | false |
[CIF]
data_Ta
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30727371
_cell_length_b 4.30727371
_cell_length_c 4.30727371
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ta
_chemical_formula_sum Ta2
_cell_volume 56.50572007
_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
Ta Ta0 1 1.52285123 1.52285123 1.52285123 1
Ta Ta1 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Ta2 | Fd-3m | 227 | cubic | m-3m | 10,635.065738 | false |
[CIF]
data_Co2TeRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.91906419
_cell_length_b 4.00939154
_cell_length_c 5.23298067
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.53907743
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Co2TeRh
_chemical_formula_sum 'Co2 Te1 Rh1'
_cell_volume 59.78427765
_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 0.28024207 2.00469577 3.94251014 1
Co Co1 1 1.50271362 2.00469577 1.16565432 1
Rh Rh2 1 0.00000000 0.00000000 0.00000000 1
Te Te3 1 0.89147784 0.00000000 2.55408223 1
[/CIF]
| Co2RhTe | P2/m | 10 | monoclinic | 2/m | 9,676.208457 | false |
[CIF]
data_Li2VCr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.88906102
_cell_length_b 9.88906102
_cell_length_c 9.88906102
_cell_angle_alpha 14.53934904
_cell_angle_beta 14.53934904
_cell_angle_gamma 14.53934904
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li2VCr
_chemical_formula_sum 'Li2 V1 Cr1'
_cell_volume 53.06674941
_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 14.67439090 1
Li Li1 1 -0.00000000 -0.00000000 7.25975253 1
Li Li2 1 0.00000000 0.00000000 22.08902928 1
V V3 1 -0.00000000 -0.00000000 -0.00000000 1
[/CIF]
| CrLi2V | R-3m | 166 | trigonal | -3m | 3,655.462444 | false |
[CIF]
data_Ta2VTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.03590794
_cell_length_b 4.69535506
_cell_length_c 5.18966503
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.51081494
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ta2VTe
_chemical_formula_sum 'Ta2 V1 Te1'
_cell_volume 73.95122323
_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
Ta Ta0 1 2.13539195 2.34767753 1.18767744 1
Ta Ta1 1 0.76368715 2.34767753 4.00018348 1
Te Te2 1 1.44953955 0.00000000 2.59393046 1
V V3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Ta2TeV | P2/m | 10 | monoclinic | 2/m | 12,135.258135 | false |
[CIF]
data_ScIrAu4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40415246
_cell_length_b 5.40415246
_cell_length_c 5.40415246
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScIrAu4
_chemical_formula_sum 'Sc1 Ir1 Au4'
_cell_volume 111.60092130
_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 4.77549778 4.77549778 2.86712792 1
Au Au1 1 4.77549778 2.86712792 4.77549778 1
Au Au2 1 2.86712792 4.77549778 4.77549778 1
Au Au3 1 2.86712792 2.86712792 2.86712792 1
Ir Ir4 1 5.73196928 5.73196928 5.73196928 1
Sc Sc5 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Au4IrSc | F-43m | 216 | cubic | -43m | 15,251.824058 | false |
[CIF]
data_MgZrIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.18402889
_cell_length_b 3.39525836
_cell_length_c 6.18981864
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgZrIr2
_chemical_formula_sum 'Mg1 Zr1 Ir2'
_cell_volume 66.91565769
_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 1.59201444 1.69762918 4.67015051 1
Ir Ir1 1 1.59201444 1.69762918 1.51966813 1
Mg Mg2 1 0.00000000 0.00000000 0.00000000 1
Zr Zr3 1 0.00000000 0.00000000 3.09490932 1
[/CIF]
| Ir2MgZr | Pmmm | 47 | orthorhombic | mmm | 12,407.085444 | false |
[CIF]
data_YP2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.45130855
_cell_length_b 5.45130855
_cell_length_c 15.56922228
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YP2Rh
_chemical_formula_sum 'Y6 P12 Rh6'
_cell_volume 400.68130460
_cell_formula_units_Z 6
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 4.06385724 0.80104539 1.94114510 1
P P1 1 2.72565427 3.11888091 1.94114510 1
P P2 1 1.38745131 0.80104539 1.94114510 1
P P3 1 -1.33820296 3.91992630 9.72575624 1
P P4 1 -0.00000000 1.60209078 9.72575624 1
P P5 1 1.33820296 3.91992630 9.72575624 1
P P6 1 -0.00000000 1.60209078 13.62807718 1
P P7 1 -1.33820296 3.91992630 13.62807718 1
P P8 1 1.33820296 3.91992630 13.62807718 1
P P9 1 2.72565427 3.11888091 5.84346604 1
P P10 1 4.06385724 0.80104539 5.84346604 1
P P11 1 1.38745131 0.80104539 5.84346604 1
Rh Rh12 1 0.00000000 0.00000000 0.00000000 1
Rh Rh13 1 0.00000000 0.00000000 7.78461114 1
Rh Rh14 1 0.00000000 0.00000000 3.89230557 1
Rh Rh15 1 0.00000000 0.00000000 11.67691671 1
Rh Rh16 1 0.00000000 3.14731446 11.67691671 1
Rh Rh17 1 2.72565427 1.57365723 3.89230557 1
Y Y18 1 0.00000000 3.14731446 3.89230557 1
Y Y19 1 2.72565427 1.57365723 11.67691671 1
Y Y20 1 0.00000000 3.14731446 0.61135120 1
Y Y21 1 2.72565427 1.57365723 8.39596234 1
Y Y22 1 2.72565427 1.57365723 14.95787108 1
Y Y23 1 -0.00000000 3.14731446 7.17325994 1
[/CIF]
| P12Rh6Y6 | P6_3/mmc | 194 | hexagonal | 6/mmm | 6,310.713699 | false |
[CIF]
data_SrNiOsPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67937799
_cell_length_b 4.67937799
_cell_length_c 4.67937799
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrNiOsPd
_chemical_formula_sum 'Sr1 Ni1 Os1 Pd1'
_cell_volume 72.45183455
_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 0.00000000 1
Os Os1 1 1.65440996 1.65440995 1.65440995 1
Pd Pd2 1 3.30881991 3.30881991 3.30881991 1
Sr Sr3 1 4.96322986 4.96322986 4.96322986 1
[/CIF]
| NiOsPdSr | F-43m | 216 | cubic | -43m | 10,152.37275 | false |
[CIF]
data_GaAg2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.49604013
_cell_length_b 3.49604013
_cell_length_c 5.61820191
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaAg2Pd
_chemical_formula_sum 'Ga1 Ag2 Pd1'
_cell_volume 68.66733005
_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 1.74802007 1.74802007 4.22316372 1
Ag Ag1 1 1.74802007 1.74802007 1.39503819 1
Ga Ga2 1 0.00000000 0.00000000 0.00000000 1
Pd Pd3 1 0.00000000 0.00000000 2.80910095 1
[/CIF]
| Ag2GaPd | P4/mmm | 123 | tetragonal | 4/mmm | 9,476.574269 | false |
[CIF]
data_CoP3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.94267412
_cell_length_b 5.94267412
_cell_length_c 5.94267412
_cell_angle_alpha 155.30175408
_cell_angle_beta 54.14839131
_cell_angle_gamma 132.62265919
_symmetry_Int_Tables_number 1
_chemical_formula_structural CoP3
_chemical_formula_sum 'Co1 P3'
_cell_volume 64.22725064
_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 1.27094774 -0.00000000 0.38907293 1
P P1 1 -0.00000000 0.00000000 2.18842189 1
P P2 1 -0.00000000 1.47337493 3.88431794 1
P P3 1 1.27094774 3.81808835 1.49674933 1
[/CIF]
| CoP3 | Imm2 | 44 | orthorhombic | mm2 | 3,926.064024 | false |
[CIF]
data_K2BIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.44410815
_cell_length_b 5.44410815
_cell_length_c 3.59792823
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 126.76658455
_symmetry_Int_Tables_number 1
_chemical_formula_structural K2BIr
_chemical_formula_sum 'K2 B1 Ir1'
_cell_volume 85.42445044
_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
Ir Ir1 1 2.43906829 -0.00000000 0.00000000 1
K K2 1 1.21953414 -2.43358066 1.79896411 1
K K3 1 1.21953414 2.43358066 1.79896411 1
[/CIF]
| BIrK2 | Cmmm | 65 | orthorhombic | mmm | 5,466.636687 | false |
[CIF]
data_Cd2NiAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.12458325
_cell_length_b 3.36318951
_cell_length_c 6.63384003
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cd2NiAs
_chemical_formula_sum 'Cd2 Ni1 As1'
_cell_volume 69.71214320
_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 1.56229163 1.68159476 4.55291938 1
Cd Cd1 1 0.00000000 0.00000000 6.61576719 1
Cd Cd2 1 1.56229163 1.68159476 1.76971435 1
Ni Ni3 1 0.00000000 0.00000000 3.64619909 1
[/CIF]
| AsCd2Ni | Pmm2 | 25 | orthorhombic | mm2 | 8,537.947825 | false |
[CIF]
data_GaBi2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.37111840
_cell_length_b 3.37111840
_cell_length_c 8.09246189
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaBi2Rh
_chemical_formula_sum 'Ga1 Bi2 Rh1'
_cell_volume 91.96629167
_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 7.54154796 1
Bi Bi1 1 1.68555920 1.68555920 2.50829368 1
Ga Ga2 1 0.00000000 0.00000000 4.57725303 1
Rh Rh3 1 1.68555920 1.68555920 5.60405996 1
[/CIF]
| Bi2GaRh | P4mm | 99 | tetragonal | 4mm | 10,663.652814 | false |
[CIF]
data_Si2SnRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.97903156
_cell_length_b 3.19343034
_cell_length_c 7.34197342
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Si2SnRh
_chemical_formula_sum 'Si2 Sn1 Rh1'
_cell_volume 69.84661429
_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 0.00000000 5.98765905 1
Si Si1 1 1.48951578 1.59671517 7.17592588 1
Si Si2 1 0.00000000 0.00000000 1.31182203 1
Sn Sn3 1 1.48951578 1.59671517 3.87952658 1
[/CIF]
| RhSi2Sn | Pmm2 | 25 | orthorhombic | mm2 | 6,604.118755 | false |
[CIF]
data_Sb2W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.83820603
_cell_length_b 7.83820603
_cell_length_c 3.53972420
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sb2W
_chemical_formula_sum 'Sb6 W3'
_cell_volume 188.33602782
_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
Sb Sb0 1 2.16749853 0.00000000 1.76986210 1
Sb Sb1 1 -1.08374926 1.87710879 1.76986210 1
Sb Sb2 1 2.83535375 4.91097676 1.76986210 1
Sb Sb3 1 4.82128174 0.00000000 0.00000000 1
Sb Sb4 1 -2.41064087 4.17535247 0.00000000 1
Sb Sb5 1 1.50846214 2.61273307 0.00000000 1
W W6 1 -0.00000000 4.52539036 1.76986210 1
W W7 1 3.91910302 2.26269518 1.76986210 1
W W8 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Sb6W3 | P-62m | 189 | hexagonal | -6m2 | 11,303.965308 | false |
[CIF]
data_In
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07945894
_cell_length_b 5.07945894
_cell_length_c 5.94007606
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural In
_chemical_formula_sum In4
_cell_volume 132.72647053
_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
In In0 1 0.00000000 0.00000000 4.45505705 1
In In1 1 0.00000000 0.00000000 1.48501901 1
In In2 1 2.53972947 1.46631349 4.45505705 1
In In3 1 0.00000000 2.93262699 1.48501901 1
[/CIF]
| In4 | P6_3/mmc | 194 | hexagonal | 6/mmm | 5,745.945742 | false |
[CIF]
data_SrGa2Ag
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02354859
_cell_length_b 5.02354859
_cell_length_c 5.02354859
_cell_angle_alpha 119.23348515
_cell_angle_beta 119.23348515
_cell_angle_gamma 91.33285049
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrGa2Ag
_chemical_formula_sum 'Sr1 Ga2 Ag1'
_cell_volume 90.65513645
_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 -0.00000000 2.54081897 1.75531467 1
Ga Ga1 1 0.00000000 0.00000000 0.00000000 1
Ga Ga2 1 2.54081897 -0.00000000 1.75531467 1
Sr Sr3 1 0.00000000 -0.00000000 3.51062934 1
[/CIF]
| AgGa2Sr | I-4m2 | 119 | tetragonal | -42m | 6,135.022742 | false |
[CIF]
data_KSrLiCa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.44540007
_cell_length_b 6.44540007
_cell_length_c 6.44540007
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KSrLiCa
_chemical_formula_sum 'K1 Sr1 Li1 Ca1'
_cell_volume 189.33662937
_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 6.83637915 6.83637915 6.83637915 1
K K1 1 2.27879305 2.27879305 2.27879305 1
Li Li2 1 0.00000000 -0.00000000 -0.00000000 1
Sr Sr3 1 4.55758610 4.55758610 4.55758610 1
[/CIF]
| CaKLiSr | F-43m | 216 | cubic | -43m | 1,523.728266 | false |
[CIF]
data_LaMgZrTc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02354709
_cell_length_b 5.02354709
_cell_length_c 5.02354709
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaMgZrTc
_chemical_formula_sum 'La1 Mg1 Zr1 Tc1'
_cell_volume 89.64301068
_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 1.77609211 1.77609211 1.77609211 1
Mg Mg1 1 0.00000000 0.00000000 0.00000000 1
Tc Tc2 1 3.55218421 3.55218421 3.55218421 1
Zr Zr3 1 5.32827632 5.32827632 5.32827632 1
[/CIF]
| LaMgTcZr | F-43m | 216 | cubic | -43m | 6,545.250789 | false |
[CIF]
data_Cr2CuBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.34598463
_cell_length_b 4.34598463
_cell_length_c 3.71962097
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cr2CuBi
_chemical_formula_sum 'Cr2 Cu1 Bi1'
_cell_volume 70.25464759
_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 2.17299232 2.17299232 0.00000000 1
Cr Cr1 1 2.17299232 0.00000000 1.85981048 1
Cr Cr2 1 0.00000000 2.17299232 1.85981048 1
Cu Cu3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| BiCr2Cu | P4/mmm | 123 | tetragonal | 4/mmm | 8,899.751728 | false |
[CIF]
data_NbMo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.06913733
_cell_length_b 3.06913733
_cell_length_c 6.25809777
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbMo2
_chemical_formula_sum 'Nb1 Mo2'
_cell_volume 51.05116051
_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 1.53456867 0.88598363 2.12546634 1
Mo Mo1 1 -0.00000000 1.77196726 4.13263142 1
Nb Nb2 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Mo2Nb | P-3m1 | 164 | trigonal | -3m | 9,264.536329 | false |
[CIF]
data_Zn4SbAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36815176
_cell_length_b 5.36815176
_cell_length_c 5.36815176
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zn4SbAs
_chemical_formula_sum 'Zn4 Sb1 As1'
_cell_volume 109.38539933
_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 0.00000000 0.00000000 0.00000000 1
Sb Sb1 1 1.89792826 1.89792826 1.89792826 1
Zn Zn2 1 2.84507174 2.84507174 4.74664128 1
Zn Zn3 1 2.84507174 4.74664128 2.84507174 1
Zn Zn4 1 4.74664128 2.84507174 2.84507174 1
Zn Zn5 1 4.74664128 4.74664128 4.74664128 1
[/CIF]
| AsSbZn4 | F-43m | 216 | cubic | -43m | 6,955.788084 | false |
[CIF]
data_VSiNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07576591
_cell_length_b 3.89001207
_cell_length_c 7.43135072
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VSiNi
_chemical_formula_sum 'V4 Si4 Ni4'
_cell_volume 146.73046425
_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
Ni Ni0 1 2.35149312 0.97250302 5.84708417 1
Ni Ni1 1 0.18638984 2.91750905 2.13140881 1
Ni Ni2 1 2.72427279 2.91750905 1.58426655 1
Ni Ni3 1 4.88937607 0.97250302 5.29994191 1
Si Si4 1 4.28683824 0.97250302 2.99797468 1
Si Si5 1 3.32681062 2.91750905 6.71365004 1
Si Si6 1 0.78892767 2.91750905 4.43337604 1
Si Si7 1 1.74895529 0.97250302 0.71770068 1
V V8 1 4.37166952 0.97250302 0.50201435 1
V V9 1 3.24197935 2.91750905 4.21768971 1
V V10 1 0.70409639 2.91750905 6.92933637 1
V V11 1 1.83378656 0.97250302 3.21366101 1
[/CIF]
| Ni4Si4V4 | Pnma | 62 | orthorhombic | mmm | 6,234.291035 | false |
[CIF]
data_AlP2Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.90991872
_cell_length_b 2.90991872
_cell_length_c 7.27198778
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlP2Os
_chemical_formula_sum 'Al1 P2 Os1'
_cell_volume 61.57647976
_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 3.73115149 1
Os Os1 1 1.45495936 1.45495936 5.51030940 1
P P2 1 0.00000000 0.00000000 6.81418008 1
P P3 1 1.45495936 1.45495936 2.12432848 1
[/CIF]
| AlOsP2 | P4mm | 99 | tetragonal | 4mm | 7,528.110263 | false |
[CIF]
data_BeB2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.16831380
_cell_length_b 3.16831380
_cell_length_c 6.40511336
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 115.34685900
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeB2Pb
_chemical_formula_sum 'Be1 B2 Pb1'
_cell_volume 58.10629875
_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 1.69423767 0.00000000 4.84199572 1
B B1 1 1.69423767 0.00000000 1.56311764 1
Be Be2 1 0.00000000 0.00000000 0.00000000 1
Pb Pb3 1 0.00000000 0.00000000 3.20255668 1
[/CIF]
| B2BePb | Cmmm | 65 | orthorhombic | mmm | 6,796.73218 | false |
[CIF]
data_HfBeRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.02450064
_cell_length_b 4.02450064
_cell_length_c 4.02450064
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfBeRu
_chemical_formula_sum 'Hf1 Be1 Ru1'
_cell_volume 46.09151708
_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
Hf Hf1 1 4.26862754 4.26862754 4.26862754 1
Ru Ru2 1 1.42287585 1.42287585 1.42287585 1
[/CIF]
| BeHfRu | F-43m | 216 | cubic | -43m | 10,396.38988 | false |
[CIF]
data_ScGaCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.39054418
_cell_length_b 4.39054418
_cell_length_c 4.39054418
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScGaCu2
_chemical_formula_sum 'Sc1 Ga1 Cu2'
_cell_volume 59.84667903
_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 1.55229178 1.55229178 1.55229178 1
Cu Cu1 1 3.10458356 3.10458356 3.10458356 1
Ga Ga2 1 4.65687534 4.65687534 4.65687534 1
Sc Sc3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Cu2GaSc | F-43m | 216 | cubic | -43m | 6,708.309484 | false |
[CIF]
data_Tl2PAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38433413
_cell_length_b 5.38433413
_cell_length_c 3.27296382
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tl2PAu
_chemical_formula_sum 'Tl2 P1 Au1'
_cell_volume 94.88667092
_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 2.69216707 2.69216707 0.00000000 1
P P1 1 0.00000000 0.00000000 0.00000000 1
Tl Tl2 1 0.00000000 2.69216707 1.63648191 1
Tl Tl3 1 2.69216707 0.00000000 1.63648191 1
[/CIF]
| AuPTl2 | P4/mmm | 123 | tetragonal | 4/mmm | 11,142.5211 | false |
[CIF]
data_CaCrGa2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.11708349
_cell_length_b 3.42185358
_cell_length_c 6.68340117
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaCrGa2
_chemical_formula_sum 'Ca1 Cr1 Ga2'
_cell_volume 71.28651561
_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 0.00000000 0.00000000 3.34170058 1
Ga Ga2 1 1.55854175 1.71092679 4.62093050 1
Ga Ga3 1 1.55854175 1.71092679 2.06247067 1
[/CIF]
| CaCrGa2 | Pmmm | 47 | orthorhombic | mmm | 5,392.999889 | false |
[CIF]
data_Hf
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.18994121
_cell_length_b 3.18994121
_cell_length_c 10.17316722
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf
_chemical_formula_sum Hf4
_cell_volume 89.65038793
_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
Hf Hf0 1 0.00000000 0.00000000 0.00000000 1
Hf Hf1 1 -0.00000000 1.84171342 2.54329181 1
Hf Hf2 1 0.00000000 0.00000000 5.08658361 1
Hf Hf3 1 1.59497060 0.92085671 7.62987542 1
[/CIF]
| Hf4 | P6_3/mmc | 194 | hexagonal | 6/mmm | 13,224.242976 | false |
[CIF]
data_MnCuPb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.42835120
_cell_length_b 3.42835120
_cell_length_c 7.34888754
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 100.64315042
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnCuPb2
_chemical_formula_sum 'Mn1 Cu1 Pb2'
_cell_volume 84.88986157
_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 3.67444377 1
Mn Mn1 1 0.00000000 0.00000000 0.00000000 1
Pb Pb2 1 2.18892698 0.00000000 1.89450058 1
Pb Pb3 1 2.18892698 0.00000000 5.45438696 1
[/CIF]
| CuMnPb2 | Cmmm | 65 | orthorhombic | mmm | 10,423.798064 | false |
[CIF]
data_CuAs2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.47228398
_cell_length_b 3.47228398
_cell_length_c 6.95729693
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CuAs2Pb
_chemical_formula_sum 'Cu1 As2 Pb1'
_cell_volume 83.88243201
_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 1.73614199 1.73614199 5.72664642 1
As As1 1 1.73614199 1.73614199 1.23065051 1
Cu Cu2 1 0.00000000 0.00000000 0.00000000 1
Pb Pb3 1 0.00000000 0.00000000 3.47864847 1
[/CIF]
| As2CuPb | P4/mmm | 123 | tetragonal | 4/mmm | 8,325.997985 | false |
[CIF]
data_ZnSnHgPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.28164471
_cell_length_b 5.28164471
_cell_length_c 5.28164471
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnSnHgPb
_chemical_formula_sum 'Zn1 Sn1 Hg1 Pb1'
_cell_volume 104.18196685
_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 1.86734340 1.86734340 1.86734340 1
Pb Pb1 1 5.60203019 5.60203019 5.60203019 1
Sn Sn2 1 3.73468679 3.73468679 3.73468679 1
Zn Zn3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| HgPbSnZn | F-43m | 216 | cubic | -43m | 9,433.877018 | false |
[CIF]
data_V7Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.02943625
_cell_length_b 6.02943625
_cell_length_c 6.02943625
_cell_angle_alpha 89.49975275
_cell_angle_beta 89.49975275
_cell_angle_gamma 89.49975275
_symmetry_Int_Tables_number 1
_chemical_formula_structural V7Mo
_chemical_formula_sum 'V14 Mo2'
_cell_volume 219.16981865
_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
Mo Mo0 1 0.00000000 -0.00000000 9.19158802 1
Mo Mo1 1 -0.00000000 -0.00000000 1.34248611 1
V V2 1 0.00000000 -0.00000000 6.55924941 1
V V3 1 -0.00000000 2.44493343 4.82159247 1
V V4 1 -2.11737447 -1.22246672 4.82159247 1
V V5 1 -2.11936082 1.22361354 3.08085877 1
V V6 1 -0.00000000 2.44722708 7.45321536 1
V V7 1 -2.11936082 -1.22361354 7.45321536 1
V V8 1 -2.11737447 1.22246672 5.71248166 1
V V9 1 2.11737447 -1.22246672 4.82159247 1
V V10 1 2.11936082 1.22361354 3.08085877 1
V V11 1 0.00000000 -2.44722708 3.08085877 1
V V12 1 2.11936082 -1.22361354 7.45321536 1
V V13 1 2.11737447 1.22246672 5.71248166 1
V V14 1 0.00000000 -2.44493343 5.71248166 1
V V15 1 -0.00000000 -0.00000000 3.97482472 1
[/CIF]
| Mo2V14 | R-3m | 166 | trigonal | -3m | 6,857.493331 | false |
[CIF]
data_NaCdNi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.62367835
_cell_length_b 3.63899653
_cell_length_c 6.98368123
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaCdNi2
_chemical_formula_sum 'Na1 Cd1 Ni2'
_cell_volume 66.67709050
_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 1.31183917 1.81949827 3.08271841 1
Na Na1 1 0.00000000 0.00000000 5.47820020 1
Ni Ni2 1 1.31183917 1.81949827 0.52239961 1
Ni Ni3 1 0.00000000 0.00000000 1.39220363 1
[/CIF]
| CdNaNi2 | Pmm2 | 25 | orthorhombic | mm2 | 6,295.470171 | false |
[CIF]
data_SiHgMo4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.27600423
_cell_length_b 5.27600423
_cell_length_c 5.27600423
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SiHgMo4
_chemical_formula_sum 'Si1 Hg1 Mo4'
_cell_volume 103.84854303
_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 5.59604756 5.59604756 5.59604756 1
Mo Mo1 1 4.65650049 2.80489625 4.65650049 1
Mo Mo2 1 2.80489625 4.65650049 4.65650049 1
Mo Mo3 1 2.80489625 2.80489625 2.80489625 1
Mo Mo4 1 4.65650049 4.65650049 2.80489625 1
Si Si5 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| HgMo4Si | F-43m | 216 | cubic | -43m | 9,794.127939 | false |
[CIF]
data_LiScBeIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60573974
_cell_length_b 4.60573974
_cell_length_c 4.60573974
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiScBeIn
_chemical_formula_sum 'Li1 Sc1 Be1 In1'
_cell_volume 69.08490761
_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 4.88512470 4.88512470 4.88512470 1
In In1 1 3.25674980 3.25674980 3.25674980 1
Li Li2 1 0.00000000 0.00000000 0.00000000 1
Sc Sc3 1 1.62837490 1.62837490 1.62837490 1
[/CIF]
| BeInLiSc | F-43m | 216 | cubic | -43m | 4,223.812621 | false |
[CIF]
data_NbCoBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.24055762
_cell_length_b 4.24055762
_cell_length_c 4.24055762
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbCoBr
_chemical_formula_sum 'Nb1 Co1 Br1'
_cell_volume 53.92049975
_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 1.49926352 1.49926352 1.49926353 1
Co Co1 1 0.00000000 0.00000000 0.00000000 1
Nb Nb2 1 4.49779057 4.49779057 4.49779058 1
[/CIF]
| BrCoNb | F-43m | 216 | cubic | -43m | 7,136.789561 | false |
[CIF]
data_CaTaB2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33888436
_cell_length_b 4.33888436
_cell_length_c 4.33888436
_cell_angle_alpha 120.81380170
_cell_angle_beta 109.74291586
_cell_angle_gamma 98.62402277
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaTaB2
_chemical_formula_sum 'Ca1 Ta1 B2'
_cell_volume 60.52916861
_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 2.14270224 -0.00000000 1.96123402 1
B B1 1 -0.00000000 2.49664936 0.86745589 1
Ca Ca2 1 0.00000000 0.00000000 0.00000000 1
Ta Ta3 1 0.00000000 0.00000000 2.82868991 1
[/CIF]
| B2CaTa | Immm | 71 | orthorhombic | mmm | 6,656.729201 | false |
[CIF]
data_BaTiMnW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.75011613
_cell_length_b 4.75011613
_cell_length_c 4.75011613
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaTiMnW
_chemical_formula_sum 'Ba1 Ti1 Mn1 W1'
_cell_volume 75.78751816
_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 3.35883933 3.35883933 3.35883933 1
Mn Mn1 1 1.67941966 1.67941966 1.67941966 1
Ti Ti2 1 0.00000000 0.00000000 0.00000000 1
W W3 1 5.03825899 5.03825899 5.03825899 1
[/CIF]
| BaMnTiW | F-43m | 216 | cubic | -43m | 9,289.420752 | false |
[CIF]
data_ZrV2Tc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44984982
_cell_length_b 4.44984982
_cell_length_c 3.14340867
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZrV2Tc
_chemical_formula_sum 'Zr1 V2 Tc1'
_cell_volume 62.24314877
_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
Tc Tc0 1 2.22492491 2.22492491 0.00000000 1
V V1 1 2.22492491 0.00000000 1.57170433 1
V V2 1 0.00000000 2.22492491 1.57170433 1
Zr Zr3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| TcV2Zr | P4/mmm | 123 | tetragonal | 4/mmm | 7,790.404826 | false |
[CIF]
data_Nb2BP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.45352780
_cell_length_b 3.45352780
_cell_length_c 4.82439412
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nb2BP
_chemical_formula_sum 'Nb2 B1 P1'
_cell_volume 57.53984543
_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
Nb Nb1 1 1.72676390 1.72676390 0.00000000 1
Nb Nb2 1 0.00000000 0.00000000 2.41219706 1
P P3 1 1.72676390 1.72676390 2.41219706 1
[/CIF]
| BNb2P | P4/mmm | 123 | tetragonal | 4/mmm | 6,568.227987 | false |
[CIF]
data_Cd(CuO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.24789590
_cell_length_b 6.24789590
_cell_length_c 6.24789590
_cell_angle_alpha 125.19828336
_cell_angle_beta 125.19828336
_cell_angle_gamma 81.20986600
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cd(CuO2)2
_chemical_formula_sum 'Cd2 Cu4 O8'
_cell_volume 156.87155699
_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 2.87536344 2.37174900 1
Cd Cd1 1 0.00000000 0.00000000 0.00000000 1
Cu Cu2 1 1.43768172 0.00000000 3.55762350 1
Cu Cu3 1 2.87536344 1.43768172 1.18587450 1
Cu Cu4 1 0.00000000 1.43768172 5.92937250 1
Cu Cu5 1 1.43768172 2.87536344 -1.18587450 1
O O6 1 3.71018784 1.27570387 -0.46750493 1
O O7 1 -0.83482440 1.59965957 4.27599307 1
O O8 1 4.47502301 0.83482440 1.90424407 1
O O9 1 1.59965957 0.83482440 5.21100293 1
O O10 1 1.27570387 -0.83482440 1.90424407 1
O O11 1 1.27570387 2.04053905 0.46750493 1
O O12 1 3.71018784 -1.59965957 2.83925393 1
O O13 1 2.04053905 1.59965957 2.83925393 1
[/CIF]
| Cd2Cu4O8 | I4_1/a | 88 | tetragonal | 4/m | 6,425.315432 | false |
[CIF]
data_Li2YIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03835146
_cell_length_b 5.03835146
_cell_length_c 5.03835146
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li2YIn
_chemical_formula_sum 'Li2 Y1 In1'
_cell_volume 90.43788121
_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 5.34397872 5.34397872 5.34397872 1
Li Li1 1 -0.00000000 0.00000000 0.00000000 1
Li Li2 1 1.78132624 1.78132624 1.78132624 1
Y Y3 1 3.56265248 3.56265248 3.56265248 1
[/CIF]
| InLi2Y | F-43m | 216 | cubic | -43m | 3,995.730573 | false |
[CIF]
data_V2AgTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.33105887
_cell_length_b 4.27279570
_cell_length_c 5.14782105
_cell_angle_alpha 90.00000000
_cell_angle_beta 104.96403386
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V2AgTe
_chemical_formula_sum 'V2 Ag1 Te1'
_cell_volume 70.78392026
_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 1.09144824 0.00000000 2.12249292 1
Te Te1 1 -0.26027393 2.13639785 4.12116756 1
V V2 1 1.44223408 0.00000000 4.88035496 1
V V3 1 2.73115739 2.13639785 1.30910626 1
[/CIF]
| AgTeV2 | Pm | 6 | monoclinic | m | 7,914.01274 | false |
[CIF]
data_KBP2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.27447529
_cell_length_b 3.27447529
_cell_length_c 6.61488819
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KBP2
_chemical_formula_sum 'K1 B1 P2'
_cell_volume 70.92607758
_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 2.54611333 1
K K1 1 1.63723765 1.63723765 4.85192795 1
P P2 1 0.00000000 0.00000000 0.66830685 1
P P3 1 1.63723765 1.63723765 1.85598416 1
[/CIF]
| BKP2 | P4mm | 99 | tetragonal | 4mm | 2,618.82034 | false |
[CIF]
data_NiAs4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.36743556
_cell_length_b 6.36743556
_cell_length_c 6.36743556
_cell_angle_alpha 138.62964788
_cell_angle_beta 138.62964788
_cell_angle_gamma 59.94001927
_symmetry_Int_Tables_number 1
_chemical_formula_structural NiAs4
_chemical_formula_sum 'Ni1 As4'
_cell_volume 111.61884661
_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 2.24918714 -0.00000000 2.75801333 1
As As1 1 -0.00000000 2.24918714 2.75801333 1
As As2 1 0.00000000 0.00000000 6.85150182 1
As As3 1 -0.00000000 0.00000000 4.18055148 1
Ni Ni4 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| As4Ni | I4/mmm | 139 | tetragonal | 4/mmm | 5,331.569683 | false |
[CIF]
data_NpOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.17776917
_cell_length_b 3.17776917
_cell_length_c 3.77048894
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NpOs
_chemical_formula_sum 'Np1 Os1'
_cell_volume 38.07521516
_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
Np Np0 1 1.58888459 1.58888459 1.88524447 1
Os Os1 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| NpOs | P4/mmm | 123 | tetragonal | 4/mmm | 18,632.38599 | false |
[CIF]
data_LiP4Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.95001924
_cell_length_b 4.95001924
_cell_length_c 4.95001924
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiP4Ru
_chemical_formula_sum 'Li1 P4 Ru1'
_cell_volume 85.76412527
_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 4.39571249 4.39571249 2.60467185 1
P P2 1 4.39571249 2.60467185 4.39571249 1
P P3 1 2.60467185 4.39571249 4.39571249 1
P P4 1 2.60467185 2.60467185 2.60467185 1
Ru Ru5 1 5.25028826 5.25028826 5.25028826 1
[/CIF]
| LiP4Ru | F-43m | 216 | cubic | -43m | 4,490.094795 | false |
[CIF]
data_Na2LaPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.44610786
_cell_length_b 6.44610786
_cell_length_c 3.12289842
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 127.68061264
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na2LaPt
_chemical_formula_sum 'Na2 La1 Pt1'
_cell_volume 102.69888503
_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
Na Na1 1 1.42096242 2.89291244 1.56144921 1
Na Na2 1 1.42096242 -2.89291244 1.56144921 1
Pt Pt3 1 2.84192485 -0.00000000 0.00000000 1
[/CIF]
| LaNa2Pt | Cmmm | 65 | orthorhombic | mmm | 6,143.721839 | false |
[CIF]
data_GaW2Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.59100282
_cell_length_b 4.59100282
_cell_length_c 2.90690426
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaW2Cl
_chemical_formula_sum 'Ga1 W2 Cl1'
_cell_volume 61.26971320
_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 0.00000000 0.00000000 1
Ga Ga1 1 2.29550141 2.29550141 0.00000000 1
W W2 1 2.29550141 0.00000000 1.45345213 1
W W3 1 0.00000000 2.29550141 1.45345213 1
[/CIF]
| ClGaW2 | P4/mmm | 123 | tetragonal | 4/mmm | 12,815.399647 | false |
[CIF]
data_KHf2Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.61176164
_cell_length_b 8.61176164
_cell_length_c 8.61176164
_cell_angle_alpha 157.36726791
_cell_angle_beta 150.77211164
_cell_angle_gamma 37.28093890
_symmetry_Int_Tables_number 1
_chemical_formula_structural KHf2Ir
_chemical_formula_sum 'K1 Hf2 Ir1'
_cell_volume 119.84435288
_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 2.17278935 8.00657584 1
Hf Hf1 1 0.00000000 -0.00000000 5.83268167 1
Ir Ir2 1 1.68985361 -0.00000000 7.74615864 1
K K3 1 -0.00000000 0.00000000 11.05463773 1
[/CIF]
| Hf2IrK | Imm2 | 44 | orthorhombic | mm2 | 8,151.300456 | false |
[CIF]
data_Na3AlTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.84015805
_cell_length_b 7.54253000
_cell_length_c 15.78487535
_cell_angle_alpha 90.00000000
_cell_angle_beta 119.06853480
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na3AlTe3
_chemical_formula_sum 'Na12 Al4 Te12'
_cell_volume 815.85676309
_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
Al Al0 1 0.66229164 6.45195000 1.14508279 1
Al Al1 1 3.34328249 2.68068500 5.75321691 1
Al Al2 1 -0.49130142 1.09058000 12.65151661 1
Al Al3 1 -3.17229227 4.86184500 8.04338249 1
Na Na4 1 -1.34398700 3.77407000 5.49619125 1
Na Na5 1 5.34956113 0.00280500 1.40210845 1
Na Na6 1 1.51497722 3.76846000 8.30040815 1
Na Na7 1 -5.17857091 7.53972500 12.39449095 1
Na Na8 1 5.81453485 3.78266000 1.30132067 1
Na Na9 1 -1.80896071 0.01139500 5.59697903 1
Na Na10 1 -5.64354462 3.75987000 12.49527873 1
Na Na11 1 1.97995094 7.53113500 8.19962037 1
Na Na12 1 1.79284435 3.70102000 3.20107149 1
Na Na13 1 2.21272979 7.47228500 3.69722820 1
Na Na14 1 -1.62185412 3.84151000 10.59552790 1
Na Na15 1 -2.04173956 0.07024500 10.09937119 1
Te Te16 1 3.34227873 5.39009000 5.82888025 1
Te Te17 1 0.66329541 1.61882500 1.06941945 1
Te Te18 1 -3.17128850 2.15244000 7.96771915 1
Te Te19 1 -0.49230518 5.92370500 12.72717995 1
Te Te20 1 4.61179050 1.98010000 3.62598741 1
Te Te21 1 -0.60621636 5.75136500 3.27231229 1
Te Te22 1 -4.44080027 5.56243000 10.17061198 1
Te Te23 1 0.77720659 1.79116500 10.52428711 1
Te Te24 1 3.07849187 5.55913000 1.07465775 1
Te Te25 1 0.92708227 1.78786500 5.82364195 1
Te Te26 1 -2.90750164 1.98340000 12.72194165 1
Te Te27 1 -0.75609204 5.75466500 7.97295745 1
[/CIF]
| Al4Na12Te12 | P2_1/c | 14 | monoclinic | 2/m | 3,897.666942 | false |
[CIF]
data_TlVCdPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.14980612
_cell_length_b 5.14980612
_cell_length_c 5.14980612
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TlVCdPb
_chemical_formula_sum 'Tl1 V1 Cd1 Pb1'
_cell_volume 96.57342622
_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 3.64146283 3.64146283 3.64146283 1
Pb Pb1 1 5.46219425 5.46219425 5.46219425 1
Tl Tl2 1 1.82073142 1.82073142 1.82073142 1
V V3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| CdPbTlV | F-43m | 216 | cubic | -43m | 9,885.77701 | false |
[CIF]
data_GaCoIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.73402436
_cell_length_b 2.73402436
_cell_length_c 7.22305706
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaCoIr2
_chemical_formula_sum 'Ga1 Co1 Ir2'
_cell_volume 53.99155122
_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 3.63679854 1
Ga Ga1 1 1.36701218 1.36701218 5.30081833 1
Ir Ir2 1 0.00000000 0.00000000 7.21348059 1
Ir Ir3 1 1.36701218 1.36701218 1.90654520 1
[/CIF]
| CoGaIr2 | P4mm | 99 | tetragonal | 4mm | 15,780.363673 | false |
[CIF]
data_KBeFePb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.88269673
_cell_length_b 4.88269673
_cell_length_c 4.88269673
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KBeFePb
_chemical_formula_sum 'K1 Be1 Fe1 Pb1'
_cell_volume 82.31220855
_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 5.17888196 5.17888196 5.17888196 1
K K2 1 3.45258797 3.45258797 3.45258797 1
Pb Pb3 1 1.72629399 1.72629399 1.72629399 1
[/CIF]
| BeFeKPb | F-43m | 216 | cubic | -43m | 6,277.147008 | false |
[CIF]
data_HfFe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57110224
_cell_length_b 5.57110224
_cell_length_c 4.00180760
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 135.92571868
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfFe2
_chemical_formula_sum 'Hf2 Fe4'
_cell_volume 86.39567988
_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
Fe Fe0 1 2.09031957 1.57767233 0.00000000 1
Fe Fe1 1 2.09031957 0.00000000 2.00090380 1
Fe Fe2 1 2.09031957 -1.57767233 0.00000000 1
Fe Fe3 1 0.00000000 0.00000000 0.00000000 1
Hf Hf4 1 2.09031957 -3.58935653 2.00090380 1
Hf Hf5 1 2.09031957 3.58935653 2.00090380 1
[/CIF]
| Fe4Hf2 | Cmmm | 65 | orthorhombic | mmm | 11,154.613912 | false |
[CIF]
data_NpAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10164938
_cell_length_b 4.10164938
_cell_length_c 4.10164938
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NpAs
_chemical_formula_sum 'Np1 As1'
_cell_volume 48.79334599
_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 0.00000000 0.00000000 0.00000000 1
Np Np1 1 2.90030409 2.90030409 2.90030409 1
[/CIF]
| AsNp | Fm-3m | 225 | cubic | m-3m | 10,615.340924 | false |
[CIF]
data_Hf2Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.48022489
_cell_length_b 7.48022489
_cell_length_c 6.02778263
_cell_angle_alpha 96.44163008
_cell_angle_beta 96.44163008
_cell_angle_gamma 24.11382852
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf2Cl
_chemical_formula_sum 'Hf4 Cl2'
_cell_volume 136.88506285
_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 6.45474676 0.00000000 1.32828788 1
Cl Cl1 1 7.48416718 -0.00000000 4.65969737 1
Hf Hf2 1 11.43237499 -0.00000000 5.34806185 1
Hf Hf3 1 2.50653896 -0.00000000 0.63992341 1
Hf Hf4 1 11.72419761 0.00000000 2.32009148 1
Hf Hf5 1 2.21471633 -0.00000000 3.66789378 1
[/CIF]
| Cl2Hf4 | C2/m | 12 | monoclinic | 2/m | 9,521.13129 | false |
[CIF]
data_NbCr2W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.05963074
_cell_length_b 3.05963074
_cell_length_c 6.15513513
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbCr2W
_chemical_formula_sum 'Nb1 Cr2 W1'
_cell_volume 57.62031433
_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 0.04794444 1
Cr Cr1 1 1.52981537 1.52981537 1.45779107 1
Nb Nb2 1 0.00000000 0.00000000 2.99951387 1
W W3 1 1.52981537 1.52981537 4.72745332 1
[/CIF]
| Cr2NbW | P4mm | 99 | tetragonal | 4mm | 10,972.367881 | false |
[CIF]
data_MgVW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.87913642
_cell_length_b 4.87913642
_cell_length_c 4.87913642
_cell_angle_alpha 148.94580901
_cell_angle_beta 126.30640971
_cell_angle_gamma 63.33436282
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgVW
_chemical_formula_sum 'Mg1 V1 W1'
_cell_volume 47.80511498
_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 0.00715949 1
V V1 1 0.00000000 0.00000000 2.75397611 1
W W2 1 0.00000000 0.00000000 5.54424700 1
[/CIF]
| MgVW | Imm2 | 44 | orthorhombic | mm2 | 8,999.523483 | false |
[CIF]
data_CoMoW2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.67028491
_cell_length_b 3.92474800
_cell_length_c 5.69771125
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CoMoW2
_chemical_formula_sum 'Co1 Mo1 W2'
_cell_volume 59.71312700
_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 2.84175856 1
Mo Mo1 1 1.33514245 1.96237400 4.18868308 1
W W2 1 0.00000000 0.00000000 5.69324567 1
W W3 1 1.33514245 1.96237400 1.52059076 1
[/CIF]
| CoMoW2 | Pmm2 | 25 | orthorhombic | mm2 | 14,532.034227 | false |
[CIF]
data_BeReNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93912816
_cell_length_b 3.93912816
_cell_length_c 2.54702721
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeReNi
_chemical_formula_sum 'Be1 Re1 Ni1'
_cell_volume 34.22665340
_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 0.38039291 1
Ni Ni1 1 0.00000000 2.27425670 0.45414043 1
Re Re2 1 1.96956408 1.13712835 1.71249387 1
[/CIF]
| BeNiRe | P3m1 | 156 | trigonal | 3m | 12,318.813546 | false |
[CIF]
data_Tl17Zn12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.82750407
_cell_length_b 9.82750407
_cell_length_c 9.82750407
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tl17Zn12
_chemical_formula_sum 'Tl17 Zn12'
_cell_volume 730.64733783
_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
Tl Tl0 1 1.65133476 6.07591861 1.65133476 1
Tl Tl1 1 4.02257736 0.40200649 4.02257736 1
Tl Tl2 1 1.65133476 5.27190563 -1.65133476 1
Tl Tl3 1 -1.65133476 5.27190563 1.65133476 1
Tl Tl4 1 1.65133476 -1.65133476 5.27190563 1
Tl Tl5 1 -1.65133476 1.65133476 5.27190563 1
Tl Tl6 1 4.02257736 4.02257736 0.40200649 1
Tl Tl7 1 1.65133476 1.65133476 6.07591861 1
Tl Tl8 1 5.27190563 -1.65133476 1.65133476 1
Tl Tl9 1 5.27190563 1.65133476 -1.65133476 1
Tl Tl10 1 6.07591861 1.65133476 1.65133476 1
Tl Tl11 1 0.40200649 4.02257736 4.02257736 1
Tl Tl12 1 1.98555667 -1.98555667 1.98555667 1
Tl Tl13 1 3.68835545 3.68835545 3.68835545 1
Tl Tl14 1 1.98555667 1.98555667 -1.98555667 1
Tl Tl15 1 -1.98555667 1.98555667 1.98555667 1
Tl Tl16 1 0.00000000 0.00000000 0.00000000 1
Zn Zn17 1 4.69090560 -2.71474294 4.69090560 1
Zn Zn18 1 0.98300652 2.95916918 0.98300652 1
Zn Zn19 1 -0.98300652 8.38865506 0.98300652 1
Zn Zn20 1 0.98300652 8.38865506 -0.98300652 1
Zn Zn21 1 -0.98300652 0.98300652 8.38865506 1
Zn Zn22 1 0.98300652 -0.98300652 8.38865506 1
Zn Zn23 1 0.98300652 0.98300652 2.95916918 1
Zn Zn24 1 4.69090560 4.69090560 -2.71474294 1
Zn Zn25 1 8.38865506 0.98300652 -0.98300652 1
Zn Zn26 1 8.38865506 -0.98300652 0.98300652 1
Zn Zn27 1 -2.71474294 4.69090560 4.69090560 1
Zn Zn28 1 2.95916918 0.98300652 0.98300652 1
[/CIF]
| Tl17Zn12 | I-43m | 217 | cubic | -43m | 9,679.58396 | false |
[CIF]
data_FePCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.95398531
_cell_length_b 4.95398531
_cell_length_c 4.95398531
_cell_angle_alpha 131.03801709
_cell_angle_beta 131.03801709
_cell_angle_gamma 71.75268483
_symmetry_Int_Tables_number 1
_chemical_formula_structural FePCl2
_chemical_formula_sum 'Fe1 P1 Cl2'
_cell_volume 67.66787684
_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 2.05288856 -0.00000000 2.00706674 1
Cl Cl1 1 0.00000000 -0.00000000 4.01413348 1
Fe Fe2 1 0.00000000 2.05288856 2.00706674 1
P P3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Cl2FeP | I-4m2 | 119 | tetragonal | -42m | 3,870.494262 | false |
[CIF]
data_VGaSi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.81691081
_cell_length_b 4.81691081
_cell_length_c 4.81691081
_cell_angle_alpha 135.09114544
_cell_angle_beta 135.09114544
_cell_angle_gamma 65.38861301
_symmetry_Int_Tables_number 1
_chemical_formula_structural VGaSi2
_chemical_formula_sum 'V1 Ga1 Si2'
_cell_volume 54.88614476
_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 4.05374095 1
Si Si1 1 -0.00000000 1.83981168 2.02687047 1
Si Si2 1 1.83981168 0.00000000 2.02687047 1
V V3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| GaSi2V | I4/mmm | 139 | tetragonal | 4/mmm | 5,350.025173 | false |
[CIF]
data_MnCd2Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.80919671
_cell_length_b 2.80919671
_cell_length_c 7.86985062
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnCd2Co
_chemical_formula_sum 'Mn1 Cd2 Co1'
_cell_volume 62.10560420
_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 1.40459836 1.40459836 7.57650147 1
Cd Cd1 1 0.00000000 0.00000000 2.28242738 1
Co Co2 1 1.40459836 1.40459836 4.26581223 1
Mn Mn3 1 0.00000000 0.00000000 5.54988547 1
[/CIF]
| Cd2CoMn | P4mm | 99 | tetragonal | 4mm | 9,055.758556 | false |
[CIF]
data_AlTlPbW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99109250
_cell_length_b 4.99109250
_cell_length_c 4.99109250
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlTlPbW
_chemical_formula_sum 'Al1 Tl1 Pb1 W1'
_cell_volume 87.91679702
_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
Pb Pb1 1 3.52923535 3.52923535 3.52923535 1
Tl Tl2 1 1.76461767 1.76461767 1.76461767 1
W W3 1 5.29385303 5.29385303 5.29385302 1
[/CIF]
| AlPbTlW | F-43m | 216 | cubic | -43m | 11,755.746169 | false |
[CIF]
data_Na2ScSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11803406
_cell_length_b 5.11803406
_cell_length_c 5.11803406
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na2ScSe
_chemical_formula_sum 'Na2 Sc1 Se1'
_cell_volume 94.79698335
_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
Na Na0 1 0.00000000 0.00000000 0.00000000 1
Na Na1 1 5.42849489 5.42849489 5.42849489 1
Sc Sc2 1 3.61899659 3.61899659 3.61899659 1
Se Se3 1 1.80949830 1.80949830 1.80949830 1
[/CIF]
| Na2ScSe | F-43m | 216 | cubic | -43m | 2,976.023318 | false |
[CIF]
data_CdAgPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.83794406
_cell_length_b 4.55473609
_cell_length_c 5.38165961
_cell_angle_alpha 90.00000000
_cell_angle_beta 99.67692000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CdAgPt2
_chemical_formula_sum 'Cd1 Ag1 Pt2'
_cell_volume 68.57399106
_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 0.00000000 0.00000000 0.00000000 1
Cd Cd1 1 0.96666425 0.00000000 2.65254269 1
Pt Pt2 1 0.03082459 2.27736804 3.98828106 1
Pt Pt3 1 1.90250392 2.27736804 1.31680431 1
[/CIF]
| AgCdPt2 | P2/m | 10 | monoclinic | 2/m | 14,782.155858 | false |
[CIF]
data_RbPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.83062591
_cell_length_b 3.83062591
_cell_length_c 6.44280303
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural RbPb
_chemical_formula_sum 'Rb1 Pb1'
_cell_volume 81.87380408
_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
Pb Pb0 1 0.00000000 2.21161290 3.22140152 1
Rb Rb1 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| PbRb | P-6m2 | 187 | hexagonal | -6m2 | 5,935.797235 | false |
[CIF]
data_Zr2BiAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.98221948
_cell_length_b 4.98221948
_cell_length_c 4.98221948
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr2BiAs
_chemical_formula_sum 'Zr2 Bi1 As1'
_cell_volume 87.44874247
_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 0.00000000 0.00000000 0.00000000 1
Bi Bi1 1 3.52296118 3.52296118 3.52296118 1
Zr Zr2 1 1.76148059 1.76148059 1.76148059 1
Zr Zr3 1 5.28444177 5.28444177 5.28444177 1
[/CIF]
| AsBiZr2 | Fm-3m | 225 | cubic | m-3m | 8,855.386273 | false |
[CIF]
data_HfFe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52311265
_cell_length_b 4.52311265
_cell_length_c 4.77785135
_cell_angle_alpha 104.63211076
_cell_angle_beta 104.63211076
_cell_angle_gamma 114.08717312
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfFe5
_chemical_formula_sum 'Hf1 Fe5'
_cell_volume 79.03209947
_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 2.46057725 -1.37479010 0.00000000 1
Fe Fe1 1 1.35125830 -2.58788401 2.11574510 1
Fe Fe2 1 0.00000000 0.00000000 0.00000000 1
Fe Fe3 1 1.35125830 2.58788401 2.11574510 1
Fe Fe4 1 2.46057725 1.37479010 0.00000000 1
Hf Hf5 1 1.35125830 -0.00000000 2.11574510 1
[/CIF]
| Fe5Hf | C2/m | 12 | monoclinic | 2/m | 9,617.024525 | false |
[CIF]
data_LiSm2Ho
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51492802
_cell_length_b 5.51492802
_cell_length_c 5.51492802
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiSm2Ho
_chemical_formula_sum 'Li1 Sm2 Ho1'
_cell_volume 118.60542316
_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 3.89964300 3.89964300 3.89964300 1
Li Li1 1 0.00000000 0.00000000 0.00000000 1
Sm Sm2 1 1.94982150 1.94982150 1.94982150 1
Sm Sm3 1 5.84946450 5.84946450 5.84946450 1
[/CIF]
| HoLiSm2 | Fm-3m | 225 | cubic | m-3m | 6,616.530075 | false |
[CIF]
data_VZnBiRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60443074
_cell_length_b 4.60443074
_cell_length_c 4.60443074
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VZnBiRh
_chemical_formula_sum 'V1 Zn1 Bi1 Rh1'
_cell_volume 69.02602054
_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 1.62791210 1.62791210 1.62791210 1
Rh Rh1 1 3.25582420 3.25582420 3.25582420 1
V V2 1 0.00000000 0.00000000 0.00000000 1
Zn Zn3 1 4.88373630 4.88373630 4.88373630 1
[/CIF]
| BiRhVZn | F-43m | 216 | cubic | -43m | 10,301.261912 | false |
[CIF]
data_Co2AgSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.96576512
_cell_length_b 7.96576512
_cell_length_c 7.96576512
_cell_angle_alpha 21.24364630
_cell_angle_beta 21.24364630
_cell_angle_gamma 21.24364630
_symmetry_Int_Tables_number 1
_chemical_formula_structural Co2AgSe
_chemical_formula_sum 'Co2 Ag1 Se1'
_cell_volume 58.12703542
_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 -0.00000000 -0.00000000 11.67486647 1
Co Co1 1 -0.00000000 -0.00000000 17.28190066 1
Co Co2 1 -0.00000000 -0.00000000 6.06783229 1
Se Se3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AgCo2Se | R-3m | 166 | trigonal | -3m | 8,704.336393 | false |
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