# generated using pymatgen
data_ZrW47S96
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.14455100
_cell_length_b   22.10622300
_cell_length_c   14.20054100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrW47S96
_chemical_formula_sum   'Zr1 W47 S96'
_cell_volume   6009.86369232
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Zr  Zr1  1  -0.000000  0.750056  0.500000  1
  W  W2  1  0.085920  0.876901  0.500000  1
  W  W3  1  0.000000  0.498107  0.500000  1
  W  W4  1  0.083879  0.622069  0.500000  1
  W  W5  1  0.169765  0.751048  0.500000  1
  W  W6  1  0.251686  0.875991  0.500000  1
  W  W7  1  -0.000000  0.249542  0.500000  1
  W  W8  1  0.083507  0.373988  0.500000  1
  W  W9  1  0.167260  0.498516  0.500000  1
  W  W10  1  0.250115  0.624910  0.500000  1
  W  W11  1  0.334753  0.750331  0.500000  1
  W  W12  1  0.417226  0.875530  0.500000  1
  W  W13  1  -0.000000  0.000113  0.500000  1
  W  W14  1  0.083470  0.125034  0.500000  1
  W  W15  1  0.166887  0.249677  0.500000  1
  W  W16  1  0.250341  0.374398  0.500000  1
  W  W17  1  0.333500  0.499778  0.500000  1
  W  W18  1  0.416803  0.624951  0.500000  1
  W  W19  1  0.500000  0.750207  0.500000  1
  W  W20  1  0.582774  0.875530  0.500000  1
  W  W21  1  0.167812  0.001154  0.500000  1
  W  W22  1  0.250498  0.125430  0.500000  1
  W  W23  1  0.333627  0.250012  0.500000  1
  W  W24  1  0.416788  0.374948  0.500000  1
  W  W25  1  0.500000  0.499918  0.500000  1
  W  W26  1  0.583197  0.624951  0.500000  1
  W  W27  1  0.665247  0.750331  0.500000  1
  W  W28  1  0.748314  0.875991  0.500000  1
  W  W29  1  0.334078  0.000703  0.500000  1
  W  W30  1  0.416903  0.125396  0.500000  1
  W  W31  1  0.500000  0.250158  0.500000  1
  W  W32  1  0.583212  0.374948  0.500000  1
  W  W33  1  0.666500  0.499778  0.500000  1
  W  W34  1  0.749885  0.624910  0.500000  1
  W  W35  1  0.830235  0.751048  0.500000  1
  W  W36  1  0.914080  0.876901  0.500000  1
  W  W37  1  0.500000  0.000537  0.500000  1
  W  W38  1  0.583097  0.125396  0.500000  1
  W  W39  1  0.666373  0.250012  0.500000  1
  W  W40  1  0.749659  0.374398  0.500000  1
  W  W41  1  0.832740  0.498516  0.500000  1
  W  W42  1  0.916121  0.622069  0.500000  1
  W  W43  1  0.665922  0.000703  0.500000  1
  W  W44  1  0.749502  0.125430  0.500000  1
  W  W45  1  0.833113  0.249677  0.500000  1
  W  W46  1  0.916493  0.373988  0.500000  1
  W  W47  1  0.832188  0.001154  0.500000  1
  W  W48  1  0.916530  0.125034  0.500000  1
  S  S49  1  0.089254  0.794676  0.387728  1
  S  S50  1  0.168726  0.918371  0.389153  1
  S  S51  1  0.083938  0.539190  0.389199  1
  S  S52  1  0.166633  0.666676  0.390199  1
  S  S53  1  0.252531  0.792478  0.389139  1
  S  S54  1  0.334415  0.917476  0.389008  1
  S  S55  1  0.083439  0.290972  0.389148  1
  S  S56  1  0.167007  0.415520  0.389123  1
  S  S57  1  0.250180  0.541346  0.389396  1
  S  S58  1  0.333608  0.666684  0.389373  1
  S  S59  1  0.417386  0.792105  0.389035  1
  S  S60  1  0.500000  0.917265  0.389035  1
  S  S61  1  0.083540  0.041849  0.389347  1
  S  S62  1  0.166836  0.166591  0.389178  1
  S  S63  1  0.250241  0.291287  0.389149  1
  S  S64  1  0.333493  0.416476  0.389241  1
  S  S65  1  0.416732  0.541587  0.389278  1
  S  S66  1  0.500000  0.666666  0.389259  1
  S  S67  1  0.582614  0.792105  0.389035  1
  S  S68  1  0.665585  0.917476  0.389008  1
  S  S69  1  0.250890  0.042452  0.389042  1
  S  S70  1  0.333689  0.166939  0.389097  1
  S  S71  1  0.416791  0.291752  0.389158  1
  S  S72  1  0.500000  0.416650  0.389211  1
  S  S73  1  0.583268  0.541587  0.389278  1
  S  S74  1  0.666392  0.666684  0.389373  1
  S  S75  1  0.747469  0.792478  0.389139  1
  S  S76  1  0.831274  0.918371  0.389153  1
  S  S77  1  0.417032  0.042244  0.389042  1
  S  S78  1  0.500000  0.167002  0.389090  1
  S  S79  1  0.583209  0.291752  0.389158  1
  S  S80  1  0.666507  0.416476  0.389241  1
  S  S81  1  0.749820  0.541346  0.389396  1
  S  S82  1  0.833367  0.666676  0.390199  1
  S  S83  1  0.910746  0.794676  0.387728  1
  S  S84  1  -0.000000  0.916649  0.390174  1
  S  S85  1  0.582968  0.042244  0.389042  1
  S  S86  1  0.666311  0.166939  0.389097  1
  S  S87  1  0.749759  0.291287  0.389149  1
  S  S88  1  0.832993  0.415520  0.389123  1
  S  S89  1  0.916062  0.539190  0.389199  1
  S  S90  1  0.000000  0.660685  0.387805  1
  S  S91  1  0.749110  0.042452  0.389042  1
  S  S92  1  0.833163  0.166591  0.389178  1
  S  S93  1  0.916561  0.290972  0.389148  1
  S  S94  1  -0.000000  0.415226  0.389094  1
  S  S95  1  0.916460  0.041849  0.389347  1
  S  S96  1  -0.000000  0.166440  0.389196  1
  S  S97  1  0.089254  0.794676  0.612272  1
  S  S98  1  0.168726  0.918371  0.610847  1
  S  S99  1  0.083938  0.539190  0.610801  1
  S  S100  1  0.166633  0.666677  0.609801  1
  S  S101  1  0.252531  0.792478  0.610861  1
  S  S102  1  0.334415  0.917476  0.610992  1
  S  S103  1  0.083439  0.290972  0.610852  1
  S  S104  1  0.167007  0.415520  0.610877  1
  S  S105  1  0.250180  0.541346  0.610604  1
  S  S106  1  0.333608  0.666684  0.610627  1
  S  S107  1  0.417386  0.792105  0.610965  1
  S  S108  1  0.500000  0.917265  0.610965  1
  S  S109  1  0.083540  0.041849  0.610653  1
  S  S110  1  0.166837  0.166591  0.610822  1
  S  S111  1  0.250241  0.291287  0.610851  1
  S  S112  1  0.333493  0.416476  0.610759  1
  S  S113  1  0.416732  0.541587  0.610722  1
  S  S114  1  0.500000  0.666666  0.610741  1
  S  S115  1  0.582614  0.792105  0.610965  1
  S  S116  1  0.665585  0.917476  0.610992  1
  S  S117  1  0.250890  0.042452  0.610958  1
  S  S118  1  0.333689  0.166939  0.610903  1
  S  S119  1  0.416791  0.291752  0.610842  1
  S  S120  1  0.500000  0.416650  0.610789  1
  S  S121  1  0.583268  0.541587  0.610722  1
  S  S122  1  0.666392  0.666684  0.610627  1
  S  S123  1  0.747469  0.792478  0.610861  1
  S  S124  1  0.831274  0.918371  0.610847  1
  S  S125  1  0.417032  0.042244  0.610958  1
  S  S126  1  0.500000  0.167002  0.610910  1
  S  S127  1  0.583209  0.291752  0.610842  1
  S  S128  1  0.666507  0.416476  0.610759  1
  S  S129  1  0.749820  0.541346  0.610604  1
  S  S130  1  0.833367  0.666677  0.609801  1
  S  S131  1  0.910746  0.794676  0.612272  1
  S  S132  1  0.000000  0.916649  0.609826  1
  S  S133  1  0.582968  0.042244  0.610958  1
  S  S134  1  0.666311  0.166939  0.610903  1
  S  S135  1  0.749759  0.291287  0.610851  1
  S  S136  1  0.832993  0.415520  0.610877  1
  S  S137  1  0.916062  0.539190  0.610801  1
  S  S138  1  -0.000000  0.660685  0.612195  1
  S  S139  1  0.749110  0.042452  0.610958  1
  S  S140  1  0.833163  0.166591  0.610822  1
  S  S141  1  0.916561  0.290972  0.610852  1
  S  S142  1  0.000000  0.415226  0.610906  1
  S  S143  1  0.916460  0.041849  0.610653  1
  S  S144  1  0.000000  0.166440  0.610804  1
