Datasets:
n0w0f
/
nomad-structure-csv

Dataset card Data Studio Files Community
1
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_ZrTiNbTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82836809 _cell_length_b 4.82836809 _cell_length_c 4.82836809 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTiNbTl _chemical_formula_sum 'Zr1 Ti1 Nb1 Tl1' _cell_volume 79.59506027 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.41417182 3.41417182 3.41417182 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 5.12125773 5.12125773 5.12125773 1 Zr Zr3 1 1.70708591 1.70708591 1.70708591 1 [/CIF]
NbTiTlZr
F-43m
216
cubic
-43m
9,103.921331
false
[CIF] data_LaGeB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24163551 _cell_length_b 3.24163551 _cell_length_c 5.89523172 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaGeB2 _chemical_formula_sum 'La1 Ge1 B2' _cell_volume 61.94827856 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62081776 1.62081776 5.04644722 1 B B1 1 1.62081776 1.62081776 0.84878450 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 La La3 1 0.00000000 0.00000000 2.94761586 1 [/CIF]
B2GeLa
P4/mmm
123
tetragonal
4/mmm
6,250.112223
false
[CIF] data_MgCo2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12397261 _cell_length_b 4.12397261 _cell_length_c 4.12397261 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCo2As _chemical_formula_sum 'Mg1 Co2 As1' _cell_volume 49.59436336 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.91608900 2.91608900 2.91608900 1 Co Co1 1 4.37413350 4.37413350 4.37413350 1 Co Co2 1 1.45804450 1.45804450 1.45804450 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsCo2Mg
Fm-3m
225
cubic
m-3m
7,268.797632
false
[CIF] data_SrCaPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05253675 _cell_length_b 5.72077451 _cell_length_c 5.71370751 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.21440728 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCaPb2 _chemical_formula_sum 'Sr1 Ca1 Pb2' _cell_volume 132.46366171 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.57024320 0.00000000 0.75992104 1 Pb Pb1 1 0.49378482 2.86038726 0.65482915 1 Pb Pb2 1 0.48986202 0.00000000 3.63890171 1 Sr Sr3 1 2.49284316 2.86038726 3.51684937 1 [/CIF]
CaPb2Sr
Pm
6
monoclinic
m
6,795.636594
false
[CIF] data_NbAlFe6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46296147 _cell_length_b 6.46296147 _cell_length_c 11.27397243 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 122.58025969 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAlFe6 _chemical_formula_sum 'Nb4 Al4 Fe24' _cell_volume 396.80864771 _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 3.10464249 -2.83282899 0.00000000 1 Al Al1 1 3.10464249 2.83282899 0.00000000 1 Al Al2 1 0.00000000 0.00000000 8.49027249 1 Al Al3 1 0.00000000 0.00000000 2.78369994 1 Fe Fe4 1 3.10464249 -2.87814194 8.52562925 1 Fe Fe5 1 1.54935346 -1.42502943 9.90610778 1 Fe Fe6 1 4.65993152 1.42502943 9.90610778 1 Fe Fe7 1 3.10464249 2.87814194 8.52562925 1 Fe Fe8 1 4.65993152 -1.42502943 9.90610778 1 Fe Fe9 1 1.54935346 1.42502943 9.90610778 1 Fe Fe10 1 0.00000000 0.00000000 5.63698622 1 Fe Fe11 1 4.68086271 1.41687891 7.07245355 1 Fe Fe12 1 4.68086271 -1.41687891 7.07245355 1 Fe Fe13 1 3.10464249 -2.87814194 2.74834318 1 Fe Fe14 1 1.52842227 -1.41687891 4.20151888 1 Fe Fe15 1 4.68086271 1.41687891 4.20151888 1 Fe Fe16 1 3.10464249 2.87814194 2.74834318 1 Fe Fe17 1 4.68086271 -1.41687891 4.20151888 1 Fe Fe18 1 1.52842227 1.41687891 4.20151888 1 Fe Fe19 1 0.00000000 0.00000000 0.00000000 1 Fe Fe20 1 4.65993152 1.42502943 1.36786465 1 Fe Fe21 1 4.65993152 -1.42502943 1.36786465 1 Fe Fe22 1 3.10464249 0.00000000 5.63698622 1 Fe Fe23 1 1.52842227 1.41687891 7.07245355 1 Fe Fe24 1 1.52842227 -1.41687891 7.07245355 1 Fe Fe25 1 3.10464249 0.00000000 0.00000000 1 Fe Fe26 1 1.54935346 1.42502943 1.36786465 1 Fe Fe27 1 1.54935346 -1.42502943 1.36786465 1 Nb Nb28 1 3.10464249 -2.80291874 5.63698622 1 Nb Nb29 1 3.10464249 2.80291874 5.63698622 1 Nb Nb30 1 3.10464249 0.00000000 8.46913481 1 Nb Nb31 1 3.10464249 0.00000000 2.80483762 1 [/CIF]
Al4Fe24Nb4
Cmmm
65
orthorhombic
mmm
7,615.513441
false
[CIF] data_NaTaTlHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05338439 _cell_length_b 5.05338439 _cell_length_c 5.05338439 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTaTlHg _chemical_formula_sum 'Na1 Ta1 Tl1 Hg1' _cell_volume 91.24981771 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.78664119 1.78664119 1.78664119 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 5.35992356 5.35992356 5.35992356 1 Tl Tl3 1 3.57328237 3.57328237 3.57328237 1 [/CIF]
HgNaTaTl
F-43m
216
cubic
-43m
11,080.793855
false
[CIF] data_EuScPa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34073454 _cell_length_b 5.34073454 _cell_length_c 5.34073454 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural EuScPa2 _chemical_formula_sum 'Eu1 Sc1 Pa2' _cell_volume 107.71792467 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Eu Eu0 1 3.77646961 3.77646961 3.77646961 1 Pa Pa1 1 1.88823480 1.88823480 1.88823480 1 Pa Pa2 1 5.66470441 5.66470441 5.66470441 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
EuPa2Sc
Fm-3m
225
cubic
m-3m
10,158.768091
false
[CIF] data_Ce(MgSi)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20937400 _cell_length_b 4.20937400 _cell_length_c 5.81916800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce(MgSi)2 _chemical_formula_sum 'Ce1 Mg2 Si2' _cell_volume 103.10884546 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ce Ce0 1 0.00000000 0.00000000 0.00000000 1 Mg Mg1 1 2.10468700 0.00000000 2.90958400 1 Mg Mg2 1 0.00000000 2.10468700 2.90958400 1 Si Si3 1 2.10468700 2.10468700 4.67216343 1 Si Si4 1 2.10468700 2.10468700 1.14700457 1 [/CIF]
CeMg2Si2
P4/mmm
123
tetragonal
4/mmm
3,943.997569
false
[CIF] data_NaCd2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14493304 _cell_length_b 3.14493304 _cell_length_c 9.20806182 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCd2Ga _chemical_formula_sum 'Na1 Cd2 Ga1' _cell_volume 91.07329152 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57246652 1.57246652 0.10979315 1 Cd Cd1 1 0.00000000 0.00000000 2.42219991 1 Ga Ga2 1 1.57246652 1.57246652 4.46584442 1 Na Na3 1 0.00000000 0.00000000 6.81425525 1 [/CIF]
Cd2GaNa
P4mm
99
tetragonal
4mm
5,789.710885
false
[CIF] data_BaOsPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88545929 _cell_length_b 4.88545929 _cell_length_c 4.88545929 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaOsPd _chemical_formula_sum 'Ba1 Os1 Pd1' _cell_volume 82.45200048 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.72727069 1.72727069 1.72727070 1 Os Os1 1 3.45454139 3.45454139 3.45454139 1 Pd Pd2 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
BaOsPd
F-43m
216
cubic
-43m
8,740.064017
false
[CIF] data_SrTi2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15832298 _cell_length_b 3.15832298 _cell_length_c 8.21594701 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTi2Co _chemical_formula_sum 'Sr1 Ti2 Co1' _cell_volume 81.95410467 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.51161513 1 Sr Sr1 1 1.57916149 1.57916149 5.81222736 1 Ti Ti2 1 0.00000000 0.00000000 0.60898407 1 Ti Ti3 1 1.57916149 1.57916149 2.39109396 1 [/CIF]
CoSrTi2
P4mm
99
tetragonal
4mm
4,909.178793
false
[CIF] data_Be2HgW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78034059 _cell_length_b 2.78034059 _cell_length_c 7.27250429 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2HgW _chemical_formula_sum 'Be2 Hg1 W1' _cell_volume 56.21859480 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.39017029 1.39017029 1.66301206 1 Be Be1 1 1.39017029 1.39017029 5.60949223 1 Hg Hg2 1 0.00000000 0.00000000 3.63625214 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2HgW
P4/mmm
123
tetragonal
4/mmm
11,887.36923
false
[CIF] data_In2CuTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66874047 _cell_length_b 5.66874047 _cell_length_c 3.27589674 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.59124485 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2CuTe _chemical_formula_sum 'In2 Cu1 Te1' _cell_volume 99.17549266 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 In In1 1 1.63399955 2.31596634 1.63794837 1 In In2 1 1.63399955 -2.31596634 1.63794837 1 Te Te3 1 3.26799910 -0.00000000 0.00000000 1 [/CIF]
CuIn2Te
Cmmm
65
orthorhombic
mmm
7,045.338831
false
[CIF] data_Tl2SbPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.63002482 _cell_length_b 7.63002482 _cell_length_c 7.63002482 _cell_angle_alpha 154.19156665 _cell_angle_beta 146.24607754 _cell_angle_gamma 42.97205256 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2SbPd _chemical_formula_sum 'Tl2 Sb1 Pd1' _cell_volume 107.19185603 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 0.00000000 -0.00000000 7.09979094 1 Tl Tl2 1 0.00000000 2.21512922 4.54332534 1 Tl Tl3 1 1.70395128 0.00000000 2.55646560 1 [/CIF]
PdSbTl2
Immm
71
orthorhombic
mmm
9,867.163642
false
[CIF] data_La2MoPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72169182 _cell_length_b 5.72169182 _cell_length_c 5.72169182 _cell_angle_alpha 130.22235034 _cell_angle_beta 130.22235034 _cell_angle_gamma 73.05155069 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2MoPb _chemical_formula_sum 'La2 Mo1 Pb1' _cell_volume 106.64499510 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.59788969 1 La La1 1 0.00000000 2.40802488 2.29894485 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 2.40802488 -0.00000000 2.29894485 1 [/CIF]
La2MoPb
I-4m2
119
tetragonal
-42m
9,046.134247
false
[CIF] data_ZrAlRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50668717 _cell_length_b 4.50668717 _cell_length_c 4.50668717 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAlRu2 _chemical_formula_sum 'Zr1 Al1 Ru2' _cell_volume 64.72279161 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 3.18670906 3.18670906 3.18670906 1 Ru Ru2 1 4.78006359 4.78006359 4.78006359 1 Zr Zr3 1 1.59335453 1.59335453 1.59335453 1 [/CIF]
AlRu2Zr
F-43m
216
cubic
-43m
8,218.840201
false
[CIF] data_SrOs2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08813994 _cell_length_b 4.08813994 _cell_length_c 7.78815773 _cell_angle_alpha 104.03925207 _cell_angle_beta 104.03925207 _cell_angle_gamma 59.55578332 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrOs2Br _chemical_formula_sum 'Sr1 Os2 Br1' _cell_volume 107.74414825 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 4.82872902 0.00000000 1.97444781 1 Os Os1 1 4.86147499 -0.00000000 6.18062450 1 Os Os2 1 0.12218881 0.00000000 6.61186780 1 Sr Sr3 1 2.48745072 0.00000000 3.92752374 1 [/CIF]
BrOs2Sr
Cm
8
monoclinic
m
8,445.459495
false
[CIF] data_ZrSn2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84780710 _cell_length_b 3.84780710 _cell_length_c 6.15780078 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSn2Ge _chemical_formula_sum 'Zr1 Sn2 Ge1' _cell_volume 91.17005494 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.34664920 1 Sn Sn1 1 1.92390355 1.92390355 0.06559924 1 Sn Sn2 1 0.00000000 0.00000000 1.56104788 1 Zr Zr3 1 1.92390355 1.92390355 3.26340485 1 [/CIF]
GeSn2Zr
P4mm
99
tetragonal
4mm
7,309.12731
false
[CIF] data_NbSnBiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28953992 _cell_length_b 5.28953992 _cell_length_c 5.28953992 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSnBiPb _chemical_formula_sum 'Nb1 Sn1 Bi1 Pb1' _cell_volume 104.64987178 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.74026955 3.74026955 3.74026955 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 5.61040432 5.61040432 5.61040432 1 Sn Sn3 1 1.87013477 1.87013477 1.87013477 1 [/CIF]
BiNbPbSn
F-43m
216
cubic
-43m
9,961.608757
false
[CIF] data_HfTa2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82911721 _cell_length_b 2.82911721 _cell_length_c 8.00195615 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTa2B _chemical_formula_sum 'Hf1 Ta2 B1' _cell_volume 64.04689034 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.95689810 1 Hf Hf1 1 1.41455861 1.41455861 5.56148876 1 Ta Ta2 1 0.00000000 0.00000000 0.03916173 1 Ta Ta3 1 1.41455861 1.41455861 2.44538556 1 [/CIF]
BHfTa2
P4mm
99
tetragonal
4mm
14,290.838298
false
[CIF] data_BeP2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36903868 _cell_length_b 4.36903868 _cell_length_c 4.36903868 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeP2Se _chemical_formula_sum 'Be1 P2 Se1' _cell_volume 58.97156753 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 3.08937688 3.08937688 3.08937688 1 P P2 1 1.54468844 1.54468844 1.54468844 1 Se Se3 1 4.63406532 4.63406532 4.63406532 1 [/CIF]
BeP2Se
F-43m
216
cubic
-43m
4,221.483998
false
[CIF] data_YTlBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88766682 _cell_length_b 5.88766682 _cell_length_c 5.88766682 _cell_angle_alpha 138.69829749 _cell_angle_beta 138.69829749 _cell_angle_gamma 59.83518914 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTlBi _chemical_formula_sum 'Y1 Tl1 Bi1' _cell_volume 88.00816908 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.12197649 1 Tl Tl1 1 0.00000000 -0.00000000 3.35695587 1 Y Y2 1 0.00000000 0.00000000 6.72726308 1 [/CIF]
BiTlY
I4mm
107
tetragonal
4mm
9,476.827191
false
[CIF] data_K2BTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53918128 _cell_length_b 3.53918128 _cell_length_c 9.46707233 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2BTe _chemical_formula_sum 'K2 B1 Te1' _cell_volume 118.58269372 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 1.76959064 1.76959064 2.07977596 1 K K2 1 1.76959064 1.76959064 7.38729637 1 Te Te3 1 0.00000000 0.00000000 4.73353617 1 [/CIF]
BK2Te
P4/mmm
123
tetragonal
4/mmm
3,033.202997
false
[CIF] data_GaTcSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82246673 _cell_length_b 4.82246673 _cell_length_c 4.82246673 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaTcSb2 _chemical_formula_sum 'Ga1 Tc1 Sb2' _cell_volume 79.30356735 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 5.11499840 5.11499840 5.11499840 1 Sb Sb2 1 1.70499947 1.70499947 1.70499947 1 Tc Tc3 1 3.40999893 3.40999893 3.40999893 1 [/CIF]
GaSb2Tc
Fm-3m
225
cubic
m-3m
8,630.000777
false
[CIF] data_TaTcAg4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28639194 _cell_length_b 5.28639194 _cell_length_c 5.28639194 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTcAg4 _chemical_formula_sum 'Ta1 Tc1 Ag4' _cell_volume 104.46314099 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.80364087 4.67244631 2.80364087 1 Ag Ag1 1 4.67244631 2.80364087 2.80364087 1 Ag Ag2 1 4.67244631 4.67244631 4.67244631 1 Ag Ag3 1 2.80364087 2.80364087 4.67244631 1 Ta Ta4 1 1.86902179 1.86902179 1.86902180 1 Tc Tc5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag4TaTc
F-43m
216
cubic
-43m
11,307.204265
false
[CIF] data_Cd2CuAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87419387 _cell_length_b 4.87419387 _cell_length_c 3.10702328 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 102.24944386 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2CuAg _chemical_formula_sum 'Cd2 Cu1 Ag1' _cell_volume 72.13537669 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.05917667 -0.00000000 0.00000000 1 Cd Cd1 1 1.52958834 -1.89731416 1.55351164 1 Cd Cd2 1 1.52958834 1.89731415 1.55351164 1 Cu Cu3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
AgCd2Cu
Cmmm
65
orthorhombic
mmm
9,121.26227
false
[CIF] data_ScZnGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23862735 _cell_length_b 4.23862735 _cell_length_c 3.90992518 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScZnGe2 _chemical_formula_sum 'Sc1 Zn1 Ge2' _cell_volume 70.24556647 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.11931367 0.00000000 1.95496259 1 Ge Ge1 1 0.00000000 2.11931367 1.95496259 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 2.11931367 2.11931367 0.00000000 1 [/CIF]
Ge2ScZn
P4/mmm
123
tetragonal
4/mmm
6,042.519539
false
[CIF] data_LaTlGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07021811 _cell_length_b 5.07021811 _cell_length_c 5.07021811 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTlGa _chemical_formula_sum 'La1 Tl1 Ga1' _cell_volume 92.16476700 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 3.58518561 3.58518561 3.58518561 1 Tl Tl2 1 1.79259280 1.79259280 1.79259280 1 [/CIF]
GaLaTl
F-43m
216
cubic
-43m
7,441.262007
false
[CIF] data_Sc2BMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43139122 _cell_length_b 4.43139122 _cell_length_c 4.43139122 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2BMo _chemical_formula_sum 'Sc2 B1 Mo1' _cell_volume 61.53260197 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 4.70020017 4.70020017 4.70020017 1 Sc Sc2 1 3.13346678 3.13346678 3.13346678 1 Sc Sc3 1 1.56673339 1.56673339 1.56673339 1 [/CIF]
BMoSc2
F-43m
216
cubic
-43m
5,307.747479
false
[CIF] data_YZnSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94724142 _cell_length_b 3.94724142 _cell_length_c 7.30413341 _cell_angle_alpha 104.99910732 _cell_angle_beta 104.99910732 _cell_angle_gamma 60.25518325 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZnSe2 _chemical_formula_sum 'Y1 Zn1 Se2' _cell_volume 94.28204150 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Se Se0 1 0.02648197 -0.00000000 5.25312730 1 Se Se1 1 4.61594290 -0.00000000 1.71634598 1 Y Y2 1 2.32121244 -0.00000000 3.48473664 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Se2YZn
C2/m
12
monoclinic
2/m
5,498.71431
false
[CIF] data_CuW3C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47725760 _cell_length_b 4.47725760 _cell_length_c 4.47725760 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuW3C _chemical_formula_sum 'Cu1 W3 C1' _cell_volume 89.75036986 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 2.23862880 2.23862880 2.23862880 1 W W2 1 2.23862880 0.00000000 2.23862880 1 W W3 1 2.23862880 2.23862880 0.00000000 1 W W4 1 0.00000000 2.23862880 2.23862880 1 [/CIF]
CCuW3
Pm-3m
221
cubic
m-3m
11,602.017459
false
[CIF] data_Cs2HoNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.32650615 _cell_length_b 6.32650615 _cell_length_c 6.32650615 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs2HoNb _chemical_formula_sum 'Cs2 Ho1 Nb1' _cell_volume 179.05102290 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.71027310 6.71027310 6.71027310 1 Cs Cs1 1 2.23675770 2.23675770 2.23675770 1 Ho Ho2 1 4.47351540 4.47351540 4.47351540 1 Nb Nb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cs2HoNb
Fm-3m
225
cubic
m-3m
4,856.366019
false
[CIF] data_MgTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47509928 _cell_length_b 5.47509928 _cell_length_c 6.53400877 _cell_angle_alpha 106.08115820 _cell_angle_beta 106.08115820 _cell_angle_gamma 30.80765483 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTc2 _chemical_formula_sum 'Mg2 Tc4' _cell_volume 96.08551185 _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 Mg Mg0 1 5.74411350 -0.00000000 3.48108244 1 Mg Mg1 1 2.93537768 -0.00000000 2.77741779 1 Tc Tc2 1 10.06637415 -0.00000000 1.14450568 1 Tc Tc3 1 1.66203747 -0.00000000 5.63679337 1 Tc Tc4 1 7.01745370 -0.00000000 0.62170686 1 Tc Tc5 1 -1.38688297 0.00000000 5.11399456 1 [/CIF]
Mg2Tc4
C2/m
12
monoclinic
2/m
7,677.216116
false
[CIF] data_Li2AlBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52393711 _cell_length_b 3.52393711 _cell_length_c 8.21132557 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2AlBr _chemical_formula_sum 'Li2 Al1 Br1' _cell_volume 101.96933102 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.32140228 1 Br Br1 1 1.76196855 1.76196855 7.59555276 1 Li Li2 1 0.00000000 0.00000000 7.57545596 1 Li Li3 1 1.76196855 1.76196855 2.03590284 1 [/CIF]
AlBrLi2
P4mm
99
tetragonal
4mm
1,966.662072
false
[CIF] data_BaBeZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35822303 _cell_length_b 4.61564033 _cell_length_c 4.99546454 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaBeZn2 _chemical_formula_sum 'Ba1 Be1 Zn2' _cell_volume 100.48871465 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.17911152 2.30782016 0.00000000 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 0.00000000 2.30782016 2.49773227 1 Zn Zn3 1 2.17911152 0.00000000 2.49773227 1 [/CIF]
BaBeZn2
Pmmm
47
orthorhombic
mmm
4,578.962111
false
[CIF] data_NaSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.39290828 _cell_length_b 6.39290828 _cell_length_c 6.29022021 _cell_angle_alpha 104.72583962 _cell_angle_beta 104.72583962 _cell_angle_gamma 27.37499828 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSi2 _chemical_formula_sum 'Na2 Si4' _cell_volume 114.08988975 _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 Na Na0 1 5.89679939 -0.00000000 1.58137240 1 Na Na1 1 4.88023685 0.00000000 4.48975853 1 Si Si2 1 8.57662976 0.00000000 5.63588843 1 Si Si3 1 1.48199847 0.00000000 3.77863149 1 Si Si4 1 9.29503777 0.00000000 2.29249944 1 Si Si5 1 2.20040648 0.00000000 0.43524250 1 [/CIF]
Na2Si4
C2/m
12
monoclinic
2/m
2,304.315487
false
[CIF] data_ZnReAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50245883 _cell_length_b 4.50245883 _cell_length_c 4.50245883 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnReAs2 _chemical_formula_sum 'Zn1 Re1 As2' _cell_volume 64.54078643 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.77557875 4.77557875 4.77557875 1 As As1 1 3.18371917 3.18371917 3.18371917 1 Re Re2 1 1.59185958 1.59185959 1.59185959 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2ReZn
F-43m
216
cubic
-43m
10,328.205875
false
[CIF] data_NaSn2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50797085 _cell_length_b 5.50797085 _cell_length_c 5.50797085 _cell_angle_alpha 134.35795975 _cell_angle_beta 134.35795975 _cell_angle_gamma 66.52943869 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSn2B _chemical_formula_sum 'Na1 Sn2 B1' _cell_volume 84.07224629 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 2.13628723 0.00000000 2.30273189 1 Sn Sn2 1 0.00000000 -0.00000000 4.60546378 1 Sn Sn3 1 0.00000000 2.13628723 2.30273189 1 [/CIF]
BNaSn2
I-4m2
119
tetragonal
-42m
5,356.972163
false
[CIF] data_LaBi2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42148724 _cell_length_b 5.42148724 _cell_length_c 5.42148724 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaBi2W _chemical_formula_sum 'La1 Bi2 W1' _cell_volume 112.67830920 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.83357039 3.83357039 3.83357039 1 Bi Bi1 1 5.75035559 5.75035559 5.75035559 1 La La2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 1.91678520 1.91678520 1.91678520 1 [/CIF]
Bi2LaW
F-43m
216
cubic
-43m
10,915.78057
false
[CIF] data_Fe3HAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84433729 _cell_length_b 4.84433729 _cell_length_c 4.84433729 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe3HAu _chemical_formula_sum 'Fe3 H1 Au1' _cell_volume 113.68498809 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy H H0 1 0.00000000 0.00000000 0.00000000 1 Au Au1 1 2.42216865 2.42216865 2.42216865 1 Fe Fe2 1 2.42216865 0.00000000 2.42216865 1 Fe Fe3 1 2.42216865 2.42216865 0.00000000 1 Fe Fe4 1 0.00000000 2.42216865 2.42216865 1 [/CIF]
AuFe3H
Pm-3m
221
cubic
m-3m
5,338.812354
false
[CIF] data_ZrSn2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78718135 _cell_length_b 5.78718135 _cell_length_c 5.50589889 _cell_angle_alpha 98.33689293 _cell_angle_beta 98.33689293 _cell_angle_gamma 33.04042290 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSn2Sb _chemical_formula_sum 'Zr1 Sn2 Sb1' _cell_volume 99.38440840 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.99251710 0.00000000 3.97389734 1 Sn Sn1 1 0.01609455 0.00000000 0.03388902 1 Sn Sn2 1 8.22654111 -0.00000000 1.42689507 1 Zr Zr3 1 5.16065896 -0.00000000 2.72917046 1 [/CIF]
SbSn2Zr
Cm
8
monoclinic
m
7,525.46048
false
[CIF] data_TiNbZnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46477615 _cell_length_b 4.46477615 _cell_length_c 4.46477615 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiNbZnRu _chemical_formula_sum 'Ti1 Nb1 Zn1 Ru1' _cell_volume 62.93381658 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.15707349 3.15707349 3.15707349 1 Ru Ru1 1 1.57853675 1.57853675 1.57853675 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 4.73561024 4.73561024 4.73561023 1 [/CIF]
NbRuTiZn
F-43m
216
cubic
-43m
8,106.236875
false
[CIF] data_NaTlCrW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64138862 _cell_length_b 4.64138862 _cell_length_c 4.64138862 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTlCrW _chemical_formula_sum 'Na1 Tl1 Cr1 W1' _cell_volume 70.70152843 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64097869 1.64097869 1.64097869 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 4.92293606 4.92293606 4.92293606 1 W W3 1 3.28195737 3.28195737 3.28195737 1 [/CIF]
CrNaTlW
F-43m
216
cubic
-43m
10,879.212072
false
[CIF] data_Li2CdGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98325177 _cell_length_b 4.98325177 _cell_length_c 5.24269886 _cell_angle_alpha 100.27456697 _cell_angle_beta 100.27456697 _cell_angle_gamma 35.42612770 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2CdGa _chemical_formula_sum 'Li2 Cd1 Ga1' _cell_volume 74.13081263 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.25617917 -0.00000000 2.57498765 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Li Li2 1 6.84823475 -0.00000000 1.19799122 1 Li Li3 1 1.66412359 -0.00000000 3.95198409 1 [/CIF]
CdGaLi2
C2/m
12
monoclinic
2/m
4,390.781837
false
[CIF] data_ZrTiCuMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54340560 _cell_length_b 4.54340560 _cell_length_c 4.54340560 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTiCuMo _chemical_formula_sum 'Zr1 Ti1 Cu1 Mo1' _cell_volume 66.31771123 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.81900937 4.81900937 4.81900937 1 Mo Mo1 1 3.21267291 3.21267291 3.21267291 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 1.60633646 1.60633646 1.60633646 1 [/CIF]
CuMoTiZr
F-43m
216
cubic
-43m
7,476.614836
false
[CIF] data_Tl2CrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53112634 _cell_length_b 5.53112634 _cell_length_c 5.53112634 _cell_angle_alpha 145.57196841 _cell_angle_beta 124.22822096 _cell_angle_gamma 67.21167828 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2CrOs _chemical_formula_sum 'Tl2 Cr1 Os1' _cell_volume 78.02973042 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 -0.00000000 -0.00000000 4.60668065 1 Tl Tl2 1 -0.00000000 2.58697500 2.28519728 1 Tl Tl3 1 1.63689106 0.00000000 2.32148337 1 [/CIF]
CrOsTl2
Immm
71
orthorhombic
mmm
13,853.67865
false
[CIF] data_KBaNaIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06551666 _cell_length_b 6.06551666 _cell_length_c 6.06551666 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBaNaIn _chemical_formula_sum 'K1 Ba1 Na1 In1' _cell_volume 157.79324281 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.28896796 4.28896796 4.28896796 1 In In1 1 2.14448398 2.14448398 2.14448398 1 K K2 1 6.43345194 6.43345194 6.43345194 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaInKNa
F-43m
216
cubic
-43m
3,306.83544
false
[CIF] data_ZrAsIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37452794 _cell_length_b 4.37452794 _cell_length_c 3.08471215 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAsIr _chemical_formula_sum 'Zr1 As1 Ir1' _cell_volume 51.12197978 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 0.00000000 2.52563488 0.00000000 1 Zr Zr2 1 2.18726397 1.26281744 1.54235608 1 [/CIF]
AsIrZr
P-6m2
187
hexagonal
-6m2
11,640.29835
false
[CIF] data_NdLu2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28363056 _cell_length_b 5.28363056 _cell_length_c 5.28363056 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdLu2Ga _chemical_formula_sum 'Nd1 Lu2 Ga1' _cell_volume 104.29952560 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 Lu Lu1 1 1.86804550 1.86804550 1.86804550 1 Lu Lu2 1 5.60413650 5.60413650 5.60413650 1 Nd Nd3 1 3.73609100 3.73609100 3.73609100 1 [/CIF]
GaLu2Nd
Fm-3m
225
cubic
m-3m
8,977.755647
false
[CIF] data_Tl4ZnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.35839856 _cell_length_b 6.35839856 _cell_length_c 6.35839856 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl4ZnAu _chemical_formula_sum 'Tl4 Zn1 Au1' _cell_volume 181.77252649 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.24803337 2.24803337 2.24803337 1 Tl Tl1 1 3.37477275 3.37477275 5.61736073 1 Tl Tl2 1 3.37477275 5.61736073 3.37477275 1 Tl Tl3 1 5.61736073 3.37477275 3.37477275 1 Tl Tl4 1 5.61736073 5.61736073 5.61736073 1 Zn Zn5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuTl4Zn
F-43m
216
cubic
-43m
9,864.981129
false
[CIF] data_TaBeRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18216072 _cell_length_b 3.18216072 _cell_length_c 5.71535206 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaBeRe2 _chemical_formula_sum 'Ta1 Be1 Re2' _cell_volume 57.87449425 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 1.59108036 1.59108036 1.25515235 1 Re Re2 1 1.59108036 1.59108036 4.46019971 1 Ta Ta3 1 0.00000000 0.00000000 2.85767603 1 [/CIF]
BeRe2Ta
P4/mmm
123
tetragonal
4/mmm
16,135.677342
false
[CIF] data_SbOsBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66353026 _cell_length_b 4.66353026 _cell_length_c 4.66353026 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbOsBr _chemical_formula_sum 'Sb1 Os1 Br1' _cell_volume 71.71820297 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 1.64880694 1.64880694 1.64880694 1 Sb Sb2 1 4.94642081 4.94642081 4.94642081 1 [/CIF]
BrOsSb
F-43m
216
cubic
-43m
9,073.781411
false
[CIF] data_TeOsAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07392542 _cell_length_b 5.07392542 _cell_length_c 5.07392542 _cell_angle_alpha 130.52297234 _cell_angle_beta 130.52297234 _cell_angle_gamma 72.57208019 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeOsAu2 _chemical_formula_sum 'Te1 Os1 Au2' _cell_volume 73.75830327 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.12332450 -0.00000000 2.04497588 1 Au Au1 1 0.00000000 -0.00000000 4.08995175 1 Os Os2 1 -0.00000000 2.12332450 2.04497588 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2OsTe
I-4m2
119
tetragonal
-42m
16,024.100941
false
[CIF] data_Cu4ReSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90660599 _cell_length_b 4.90660599 _cell_length_c 4.90660599 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu4ReSb _chemical_formula_sum 'Cu4 Re1 Sb1' _cell_volume 83.52732188 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.33200415 4.33200415 2.60698459 1 Cu Cu1 1 4.33200415 2.60698459 4.33200415 1 Cu Cu2 1 2.60698459 4.33200415 4.33200415 1 Cu Cu3 1 2.60698459 2.60698459 2.60698459 1 Re Re4 1 5.20424156 5.20424156 5.20424156 1 Sb Sb5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu4ReSb
F-43m
216
cubic
-43m
11,175.66894
false
[CIF] data_ZnNiRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.73224249 _cell_length_b 2.73224249 _cell_length_c 7.07931566 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnNiRu2 _chemical_formula_sum 'Zn1 Ni1 Ru2' _cell_volume 52.84814639 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.27861732 1 Ru Ru1 1 1.36612125 1.36612125 7.05882352 1 Ru Ru2 1 0.00000000 0.00000000 1.72625219 1 Zn Zn3 1 1.36612125 1.36612125 3.63459613 1 [/CIF]
NiRu2Zn
P4mm
99
tetragonal
4mm
10,249.935556
false
[CIF] data_InSn4Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.29060323 _cell_length_b 6.29060323 _cell_length_c 6.29060323 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InSn4Sb _chemical_formula_sum 'In1 Sn4 Sb1' _cell_volume 176.01994562 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 2.22406410 2.22406410 2.22406410 1 Sn Sn2 1 3.33474697 3.33474697 5.56150943 1 Sn Sn3 1 3.33474697 5.56150943 3.33474697 1 Sn Sn4 1 5.56150943 3.33474697 3.33474697 1 Sn Sn5 1 5.56150943 5.56150943 5.56150943 1 [/CIF]
InSbSn4
F-43m
216
cubic
-43m
6,711.383631
false
[CIF] data_Sr2CoRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46531242 _cell_length_b 3.46531242 _cell_length_c 8.86243780 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2CoRu _chemical_formula_sum 'Sr2 Co1 Ru1' _cell_volume 106.42361094 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.25582948 1 Ru Ru1 1 1.73265621 1.73265621 5.82810057 1 Sr Sr2 1 0.00000000 0.00000000 8.14704099 1 Sr Sr3 1 1.73265621 1.73265621 2.92512346 1 [/CIF]
CoRuSr2
P4mm
99
tetragonal
4mm
5,230.835687
false
[CIF] data_CuNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.78508659 _cell_length_b 6.78508659 _cell_length_c 6.78508659 _cell_angle_alpha 33.55730976 _cell_angle_beta 33.55730976 _cell_angle_gamma 33.55730976 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuNi _chemical_formula_sum 'Cu4 Ni4' _cell_volume 85.01573200 _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 Cu Cu0 1 0.00000000 0.00000000 15.59278740 1 Cu Cu1 1 0.00000000 -0.00000000 17.99167776 1 Cu Cu2 1 0.00000000 0.00000000 1.19944518 1 Cu Cu3 1 -0.00000000 0.00000000 3.59833555 1 Ni Ni4 1 0.00000000 0.00000000 5.99722592 1 Ni Ni5 1 0.00000000 0.00000000 8.39611629 1 Ni Ni6 1 0.00000000 0.00000000 10.79500666 1 Ni Ni7 1 0.00000000 -0.00000000 13.19389703 1 [/CIF]
Cu4Ni4
R-3m
166
trigonal
-3m
9,550.387647
false
[CIF] data_ZrSn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.18568730 _cell_length_b 6.18568730 _cell_length_c 6.18568730 _cell_angle_alpha 148.49806394 _cell_angle_beta 62.78111591 _cell_angle_gamma 127.21218776 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSn3 _chemical_formula_sum 'Zr1 Sn3' _cell_volume 97.52327293 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sn Sn0 1 1.67914633 -2.52143975 2.72849951 1 Sn Sn1 1 1.67914633 2.52143975 2.72849951 1 Sn Sn2 1 -0.00000000 5.28032936 1.90043034 1 Zr Zr3 1 0.00000000 -0.00000000 1.80853863 1 [/CIF]
Sn3Zr
Imm2
44
orthorhombic
mm2
7,617.143799
false
[CIF] data_MnSeCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52098390 _cell_length_b 3.52098390 _cell_length_c 6.56638424 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnSeCl _chemical_formula_sum 'Mn1 Se1 Cl1' _cell_volume 70.49933197 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.69100104 1 Mn Mn1 1 0.00000000 2.03284100 2.19603410 1 Se Se2 1 1.76049195 1.01642050 3.67934911 1 [/CIF]
ClMnSe
P3m1
156
trigonal
3m
3,988.88923
false
[CIF] data_TlAsPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77540181 _cell_length_b 3.77540181 _cell_length_c 8.17476114 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 101.67042109 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlAsPb2 _chemical_formula_sum 'Tl1 As1 Pb2' _cell_volume 114.11147631 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 2.38436615 0.00000000 1.76001021 1 Pb Pb2 1 2.38436615 0.00000000 6.41475093 1 Tl Tl3 1 0.00000000 0.00000000 4.08738057 1 [/CIF]
AsPb2Tl
Cmmm
65
orthorhombic
mmm
10,094.726003
false
[CIF] data_BiB2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36296430 _cell_length_b 3.37225104 _cell_length_c 5.45188194 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiB2Pd _chemical_formula_sum 'Bi1 B2 Pd1' _cell_volume 61.82848386 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 B B1 1 0.00000000 1.68612552 2.72594097 1 Bi Bi2 1 1.68148215 1.68612552 0.00000000 1 Pd Pd3 1 1.68148215 0.00000000 2.72594097 1 [/CIF]
B2BiPd
Pmmm
47
orthorhombic
mmm
9,051.47315
false
[CIF] data_SiPdW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18978895 _cell_length_b 4.18978895 _cell_length_c 4.18978895 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiPdW _chemical_formula_sum 'Si1 Pd1 W1' _cell_volume 52.00695708 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.48131409 1.48131409 1.48131409 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 2.96262818 2.96262818 2.96262818 1 [/CIF]
PdSiW
F-43m
216
cubic
-43m
10,164.508156
false
[CIF] data_HfMnIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66119174 _cell_length_b 5.66119174 _cell_length_c 5.66119174 _cell_angle_alpha 144.95893573 _cell_angle_beta 128.84931481 _cell_angle_gamma 63.51169663 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMnIn2 _chemical_formula_sum 'Hf1 Mn1 In2' _cell_volume 80.19914376 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.81370289 1 In In1 1 1.70428789 0.00000000 2.22607784 1 In In2 1 -0.00000000 2.44392290 2.58762505 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfIn2Mn
Immm
71
orthorhombic
mmm
9,587.832251
false
[CIF] data_KHfAlCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20549051 _cell_length_b 5.20549051 _cell_length_c 5.20549051 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHfAlCd _chemical_formula_sum 'K1 Hf1 Al1 Cd1' _cell_volume 99.74014143 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 3.68083764 3.68083764 3.68083764 1 Hf Hf2 1 1.84041882 1.84041882 1.84041882 1 K K3 1 5.52125646 5.52125646 5.52125646 1 [/CIF]
AlCdHfK
F-43m
216
cubic
-43m
5,943.250331
false
[CIF] data_KOs2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71795891 _cell_length_b 4.76155973 _cell_length_c 7.09177463 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KOs2Br _chemical_formula_sum 'K1 Os2 Br1' _cell_volume 91.77978776 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.35897945 2.38077987 0.00000000 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 0.00000000 2.38077987 3.54588731 1 Os Os3 1 1.35897945 0.00000000 3.54588731 1 [/CIF]
BrKOs2
Pmmm
47
orthorhombic
mmm
9,036.593805
false
[CIF] data_LiHfBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.17895846 _cell_length_b 7.02559491 _cell_length_c 3.26490992 _cell_angle_alpha 79.34631442 _cell_angle_beta 74.10555676 _cell_angle_gamma 26.54812882 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHfBi _chemical_formula_sum 'Li1 Hf1 Bi1' _cell_volume 70.08986108 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.05926881 2.53358417 13.41592141 1 Hf Hf1 1 2.05926881 2.53358417 8.92726068 1 Li Li2 1 2.05926881 2.53358417 4.52490927 1 [/CIF]
BiHfLi
Fmm2
42
orthorhombic
mm2
9,344.22651
false
[CIF] data_Tm2FePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73709783 _cell_length_b 4.73709783 _cell_length_c 4.73709783 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2FePd _chemical_formula_sum 'Tm2 Fe1 Pd1' _cell_volume 75.16610808 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 3.34963400 3.34963400 3.34963400 1 Tm Tm2 1 5.02445100 5.02445100 5.02445100 1 Tm Tm3 1 1.67481700 1.67481700 1.67481700 1 [/CIF]
FePdTm2
Fm-3m
225
cubic
m-3m
11,048.743957
false
[CIF] data_NiRh5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35052438 _cell_length_b 7.10482767 _cell_length_c 7.10482767 _cell_angle_alpha 22.12084066 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiRh5 _chemical_formula_sum 'Ni1 Rh5' _cell_volume 82.69596749 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00518390 1 Rh Rh1 1 2.17526219 -0.00000000 10.85730604 1 Rh Rh2 1 0.00000000 -0.00000000 9.25453846 1 Rh Rh3 1 2.17526219 -0.00000000 6.22826292 1 Rh Rh4 1 0.00000000 0.00000000 4.68489112 1 Rh Rh5 1 2.17526219 -0.00000000 1.50982399 1 [/CIF]
NiRh5
Amm2
38
orthorhombic
mm2
11,510.303672
false
[CIF] data_La2BeAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.36211837 _cell_length_b 9.36211837 _cell_length_c 9.36211837 _cell_angle_alpha 23.09156129 _cell_angle_beta 23.09156129 _cell_angle_gamma 23.09156129 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2BeAl _chemical_formula_sum 'La2 Be1 Al1' _cell_volume 110.79189161 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.66298108 1 Be Be1 1 -0.00000000 -0.00000000 -0.00000000 1 La La2 1 -0.00000000 -0.00000000 6.98939607 1 La La3 1 -0.00000000 0.00000000 20.33656609 1 [/CIF]
AlBeLa2
R-3m
166
trigonal
-3m
4,703.276478
false
[CIF] data_Tc4HgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17834702 _cell_length_b 5.17834702 _cell_length_c 5.17834702 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc4HgPt _chemical_formula_sum 'Tc4 Hg1 Pt1' _cell_volume 98.18800889 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83082214 1.83082214 1.83082214 1 Pt Pt1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 2.73882674 4.58446184 2.73882674 1 Tc Tc3 1 4.58446184 2.73882674 2.73882674 1 Tc Tc4 1 4.58446184 4.58446184 4.58446184 1 Tc Tc5 1 2.73882674 2.73882674 4.58446184 1 [/CIF]
HgPtTc4
F-43m
216
cubic
-43m
13,382.312012
false
[CIF] data_HgPdAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00125588 _cell_length_b 4.17296132 _cell_length_c 5.82743185 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgPdAu2 _chemical_formula_sum 'Hg1 Pd1 Au2' _cell_volume 72.98348316 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50062794 2.08648066 1.39788797 1 Au Au1 1 1.50062794 2.08648066 4.42954388 1 Hg Hg2 1 0.00000000 0.00000000 2.91371592 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2HgPd
Pmmm
47
orthorhombic
mmm
15,948.039388
false
[CIF] data_Ca2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22340868 _cell_length_b 3.22340868 _cell_length_c 8.47206221 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2W _chemical_formula_sum 'Ca2 W1' _cell_volume 76.23431618 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61170434 0.93051793 5.96791514 1 Ca Ca1 1 -0.00000000 1.86103587 2.50414707 1 W W2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ca2W
P-3m1
164
trigonal
-3m
5,750.37192
false
[CIF] data_LiHfNb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82868267 _cell_length_b 2.82868267 _cell_length_c 10.03487055 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 108.01146722 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHfNb2 _chemical_formula_sum 'Li1 Hf1 Nb2' _cell_volume 76.35866145 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.01743528 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 1.66242894 0.00000000 2.56416150 1 Nb Nb3 1 1.66242894 0.00000000 7.47070905 1 [/CIF]
HfLiNb2
Cmmm
65
orthorhombic
mmm
8,073.278853
false
[CIF] data_Al2FeHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58748840 _cell_length_b 4.58748840 _cell_length_c 4.89033628 _cell_angle_alpha 102.12258152 _cell_angle_beta 102.12258152 _cell_angle_gamma 38.50051966 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2FeHg _chemical_formula_sum 'Al2 Fe1 Hg1' _cell_volume 62.46314046 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47836752 0.00000000 3.80336339 1 Al Al1 1 6.09580160 -0.00000000 0.96445099 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Hg Hg3 1 3.78708456 0.00000000 2.38390719 1 [/CIF]
Al2FeHg
C2/m
12
monoclinic
2/m
8,251.716606
false
[CIF] data_SiAg2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58766561 _cell_length_b 6.51014404 _cell_length_c 6.51014404 _cell_angle_alpha 25.52873720 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiAg2Ir _chemical_formula_sum 'Si1 Ag2 Ir1' _cell_volume 65.52905217 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.79383280 0.00000000 10.17657644 1 Ag Ag1 1 0.00000000 0.00000000 5.54465397 1 Ir Ir2 1 1.79383280 0.00000000 1.13520945 1 Si Si3 1 0.00000000 -0.00000000 8.28818284 1 [/CIF]
Ag2IrSi
Amm2
38
orthorhombic
mm2
11,049.487066
false
[CIF] data_SrVRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56672202 _cell_length_b 4.56672202 _cell_length_c 4.56672202 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrVRh _chemical_formula_sum 'Sr1 V1 Rh1' _cell_volume 67.34397274 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61458006 1.61458006 1.61458006 1 Sr Sr1 1 4.84374016 4.84374017 4.84374017 1 V V2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
RhSrV
F-43m
216
cubic
-43m
5,953.990691
false
[CIF] data_TcBi2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41819127 _cell_length_b 3.41819127 _cell_length_c 8.03661427 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcBi2Cl _chemical_formula_sum 'Tc1 Bi2 Cl1' _cell_volume 93.90005475 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70909563 1.70909563 5.69517121 1 Bi Bi1 1 1.70909563 1.70909563 2.34144306 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 0.00000000 0.00000000 4.01830713 1 [/CIF]
Bi2ClTc
P4/mmm
123
tetragonal
4/mmm
9,767.288631
false
[CIF] data_NaLaPtPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09998691 _cell_length_b 5.09998691 _cell_length_c 5.09998691 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLaPtPb _chemical_formula_sum 'Na1 La1 Pt1 Pb1' _cell_volume 93.79769954 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.80311767 1.80311767 1.80311767 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 5.40935300 5.40935300 5.40935300 1 Pt Pt3 1 3.60623533 3.60623533 3.60623533 1 [/CIF]
LaNaPbPt
F-43m
216
cubic
-43m
9,987.895993
false
[CIF] data_AlAg2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16896929 _cell_length_b 4.43401048 _cell_length_c 6.30783195 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.38584069 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlAg2Pb _chemical_formula_sum 'Al1 Ag2 Pb1' _cell_volume 85.85375951 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.72376764 2.21700524 4.84984209 1 Ag Ag1 1 0.87801754 2.21700524 1.26020520 1 Al Al2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 -0.78359205 0.00000000 3.05502364 1 [/CIF]
Ag2AlPb
P2/m
10
monoclinic
2/m
8,702.080353
false
[CIF] data_TiCo2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70263871 _cell_length_b 3.54773155 _cell_length_c 5.11964729 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCo2Cu _chemical_formula_sum 'Ti1 Co2 Cu1' _cell_volume 49.08838955 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.35131935 1.77386577 5.06067576 1 Co Co1 1 0.00000000 0.00000000 3.89050865 1 Cu Cu2 1 1.35131935 1.77386577 2.63091706 1 Ti Ti3 1 0.00000000 0.00000000 1.21701675 1 [/CIF]
Co2CuTi
Pmm2
25
orthorhombic
mm2
7,756.16284
false
[CIF] data_HfTeW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53186408 _cell_length_b 3.53186408 _cell_length_c 6.01084528 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTeW2 _chemical_formula_sum 'Hf1 Te1 W2' _cell_volume 74.97966799 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.00542264 1 Te Te1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.76593204 1.76593204 1.54252662 1 W W3 1 1.76593204 1.76593204 4.46831866 1 [/CIF]
HfTeW2
P4/mmm
123
tetragonal
4/mmm
14,921.663924
false
[CIF] data_Sr2MoIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.44007577 _cell_length_b 6.44007577 _cell_length_c 6.44007577 _cell_angle_alpha 144.48442681 _cell_angle_beta 131.07877098 _cell_angle_gamma 61.89728737 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2MoIr _chemical_formula_sum 'Sr2 Mo1 Ir1' _cell_volume 115.71625520 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.96418272 -0.00000000 4.88263014 1 Mo Mo1 1 -0.00000000 -0.00000000 3.54061317 1 Sr Sr2 1 1.96418272 0.00000000 0.09121543 1 Sr Sr3 1 -0.00000000 -0.00000000 8.05512072 1 [/CIF]
IrMoSr2
Imm2
44
orthorhombic
mm2
6,650.077219
false
[CIF] data_KGa2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05290268 _cell_length_b 4.10145847 _cell_length_c 8.08393947 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KGa2Tc _chemical_formula_sum 'K1 Ga2 Tc1' _cell_volume 101.22186422 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.39932834 1 Ga Ga1 1 1.52645134 2.05072923 1.53064689 1 K K2 1 0.00000000 0.00000000 4.06128744 1 Tc Tc3 1 1.52645134 2.05072923 7.21858600 1 [/CIF]
Ga2KTc
Pmm2
25
orthorhombic
mm2
4,551.560059
false
[CIF] data_CaNiAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41747279 _cell_length_b 3.41747279 _cell_length_c 6.69995286 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNiAg2 _chemical_formula_sum 'Ca1 Ni1 Ag2' _cell_volume 78.24955526 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.54309169 1 Ag Ag1 1 1.70873639 1.70873639 1.41156979 1 Ca Ca2 1 0.00000000 0.00000000 3.50097488 1 Ni Ni3 1 1.70873639 1.70873639 5.29424580 1 [/CIF]
Ag2CaNi
P4mm
99
tetragonal
4mm
6,674.191143
false
[CIF] data_LaAl2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61266633 _cell_length_b 5.61266633 _cell_length_c 5.61266633 _cell_angle_alpha 133.72875111 _cell_angle_beta 133.72875111 _cell_angle_gamma 67.51198182 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaAl2Ga _chemical_formula_sum 'La1 Al2 Ga1' _cell_volume 90.77527022 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.20526685 2.33321772 1 Al Al1 1 2.20526685 -0.00000000 2.33321772 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 La La3 1 0.00000000 0.00000000 4.66643543 1 [/CIF]
Al2GaLa
I4/mmm
139
tetragonal
4/mmm
4,803.549707
false
[CIF] data_BeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89989770 _cell_length_b 3.89989770 _cell_length_c 3.89989770 _cell_angle_alpha 41.40590552 _cell_angle_beta 41.40590552 _cell_angle_gamma 41.40590552 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeIr _chemical_formula_sum 'Be1 Ir1' _cell_volume 23.44242698 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Ir Ir1 1 0.00000000 -0.00000000 5.34024649 1 [/CIF]
BeIr
R-3m
166
trigonal
-3m
14,254.024022
false
[CIF] data_ScSi3Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10081740 _cell_length_b 5.10081740 _cell_length_c 5.10081740 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScSi3Te _chemical_formula_sum 'Sc1 Si3 Te1' _cell_volume 132.71479195 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Si Si1 1 0.00000000 2.55040870 0.00000000 1 Si Si2 1 0.00000000 0.00000000 2.55040870 1 Si Si3 1 2.55040870 0.00000000 0.00000000 1 Te Te4 1 2.55040870 2.55040870 2.55040870 1 [/CIF]
ScSi3Te
Pm-3m
221
cubic
m-3m
3,213.259326
false
[CIF] data_TaTl2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04872256 _cell_length_b 5.04872256 _cell_length_c 5.04872256 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTl2Ge _chemical_formula_sum 'Ta1 Tl2 Ge1' _cell_volume 90.99751237 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 -0.00000000 0.00000000 1 Ta Ta1 1 1.78499298 1.78499298 1.78499298 1 Tl Tl2 1 3.56998596 3.56998596 3.56998596 1 Tl Tl3 1 5.35497894 5.35497894 5.35497894 1 [/CIF]
GeTaTl2
F-43m
216
cubic
-43m
12,086.764366
false
[CIF] data_Co2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19022414 _cell_length_b 4.19022414 _cell_length_c 5.08367486 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2Pd _chemical_formula_sum 'Co4 Pd2' _cell_volume 77.30060764 _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 0.00000000 0.00000000 0.00000000 1 Co Co1 1 0.00000000 0.00000000 2.54183743 1 Co Co2 1 0.00000000 2.41922704 1.27091872 1 Co Co3 1 2.09511207 1.20961352 3.81275615 1 Pd Pd4 1 0.00000000 2.41922704 3.81275615 1 Pd Pd5 1 2.09511207 1.20961352 1.27091872 1 [/CIF]
Co4Pd2
P6_3/mmc
194
hexagonal
6/mmm
9,636.051086
false
[CIF] data_MoPt5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58241759 _cell_length_b 7.43383025 _cell_length_c 7.43383025 _cell_angle_alpha 21.74983976 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoPt5 _chemical_formula_sum 'Mo1 Pt5' _cell_volume 93.83663656 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.03854618 1 Pt Pt1 1 2.29120879 -0.00000000 11.32811149 1 Pt Pt2 1 0.00000000 -0.00000000 9.67809040 1 Pt Pt3 1 2.29120879 0.00000000 6.47405557 1 Pt Pt4 1 0.00000000 0.00000000 4.96349880 1 Pt Pt5 1 2.29120879 0.00000000 1.58589967 1 [/CIF]
MoPt5
Amm2
38
orthorhombic
mm2
18,959.20837
false
[CIF] data_Na2FeB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22533312 _cell_length_b 4.22533312 _cell_length_c 4.22533312 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2FeB _chemical_formula_sum 'Na2 Fe1 B1' _cell_volume 53.34182410 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 4.48164255 4.48164255 4.48164255 1 Na Na2 1 2.98776170 2.98776170 2.98776170 1 Na Na3 1 1.49388085 1.49388085 1.49388085 1 [/CIF]
BFeNa2
F-43m
216
cubic
-43m
3,506.361382
false
[CIF] data_MgTiGaPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50547724 _cell_length_b 4.50547724 _cell_length_c 4.50547724 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTiGaPd _chemical_formula_sum 'Mg1 Ti1 Ga1 Pd1' _cell_volume 64.67067636 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.77878026 4.77878026 4.77878026 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 3.18585351 3.18585351 3.18585351 1 Ti Ti3 1 1.59292675 1.59292675 1.59292675 1 [/CIF]
GaMgPdTi
F-43m
216
cubic
-43m
6,375.94628
false
[CIF] data_Na2WCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57702563 _cell_length_b 5.57702563 _cell_length_c 2.98169930 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2WCl _chemical_formula_sum 'Na2 W1 Cl1' _cell_volume 92.74043403 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 0.00000000 2.78851282 1.49084965 1 Na Na2 1 2.78851282 0.00000000 1.49084965 1 W W3 1 2.78851282 2.78851282 0.00000000 1 [/CIF]
ClNa2W
P4/mmm
123
tetragonal
4/mmm
4,749.766574
false
[CIF] data_Mn2CuNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42714849 _cell_length_b 4.42714849 _cell_length_c 4.25714195 _cell_angle_alpha 99.37513780 _cell_angle_beta 99.37513780 _cell_angle_gamma 32.34069808 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2CuNi _chemical_formula_sum 'Mn2 Cu1 Ni1' _cell_volume 43.98892802 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.89097895 -0.00000000 2.09773144 1 Mn Mn1 1 6.17139070 0.00000000 1.03343951 1 Mn Mn2 1 1.61056719 0.00000000 3.16202338 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CuMn2Ni
C2/m
12
monoclinic
2/m
8,762.133028
false
[CIF] data_In2SeBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51277552 _cell_length_b 4.51277552 _cell_length_c 7.28934285 _cell_angle_alpha 104.72629677 _cell_angle_beta 104.72629677 _cell_angle_gamma 55.20059240 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2SeBr _chemical_formula_sum 'In2 Se1 Br1' _cell_volume 116.77670148 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.95377337 0.00000000 3.49151206 1 In In1 1 5.41704998 0.00000000 1.54354818 1 In In2 1 0.49049675 0.00000000 5.43947594 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrIn2Se
C2/m
12
monoclinic
2/m
5,524.384738
false
[CIF] data_ZnFeHgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42834784 _cell_length_b 4.42834784 _cell_length_c 4.42834784 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnFeHgRu _chemical_formula_sum 'Zn1 Fe1 Hg1 Ru1' _cell_volume 61.40591167 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 4.69697219 4.69697219 4.69697219 1 Ru Ru2 1 3.13131479 3.13131479 3.13131479 1 Zn Zn3 1 1.56565740 1.56565740 1.56565739 1 [/CIF]
FeHgRuZn
F-43m
216
cubic
-43m
11,435.658948
false
[CIF] data_KBeGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.55263063 _cell_length_b 6.55263063 _cell_length_c 6.55263063 _cell_angle_alpha 150.01950168 _cell_angle_beta 150.01950168 _cell_angle_gamma 42.91277729 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBeGa _chemical_formula_sum 'K1 Be1 Ga1' _cell_volume 70.07379287 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.46024782 1 Ga Ga1 1 -0.00000000 0.00000000 4.80746831 1 K K2 1 -0.00000000 -0.00000000 8.12631927 1 [/CIF]
BeGaK
I4mm
107
tetragonal
4mm
2,792.300691
false
[CIF] data_TcPdPb4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.23660219 _cell_length_b 6.23660219 _cell_length_c 6.23660219 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcPdPb4 _chemical_formula_sum 'Tc1 Pd1 Pb4' _cell_volume 171.52567252 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.51377116 5.51377116 3.30611624 1 Pb Pb1 1 5.51377116 3.30611624 5.51377116 1 Pb Pb2 1 3.30611624 5.51377116 5.51377116 1 Pb Pb3 1 3.30611624 3.30611624 3.30611624 1 Pd Pd4 1 6.61491555 6.61491555 6.61491555 1 Tc Tc5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pb4PdTc
F-43m
216
cubic
-43m
10,011.3699
false
[CIF] data_AsRuRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87270764 _cell_length_b 3.90992260 _cell_length_c 5.38438860 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.02967678 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AsRuRh2 _chemical_formula_sum 'As1 Ru1 Rh2' _cell_volume 58.40895386 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.08789591 0.00000000 4.06724586 1 Rh Rh1 1 1.28391998 1.95496130 5.03693277 1 Rh Rh2 1 1.24370822 0.00000000 1.34178049 1 Ru Ru3 1 -0.18500694 1.95496130 2.55453462 1 [/CIF]
AsRh2Ru
Pm
6
monoclinic
m
10,854.468212
false