# generated using pymatgen
data_BiW47S96
_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   BiW47S96
_chemical_formula_sum   'Bi1 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
  Bi  Bi1  1  0.000000  0.748371  0.500000  1
  W  W2  1  0.091121  0.879712  0.499999  1
  W  W3  1  -0.000000  0.495729  0.500000  1
  W  W4  1  0.084915  0.617941  0.500000  1
  W  W5  1  0.173846  0.751752  0.500000  1
  W  W6  1  0.253544  0.877224  0.499999  1
  W  W7  1  0.000000  0.249095  0.500000  1
  W  W8  1  0.083765  0.372846  0.499999  1
  W  W9  1  0.168073  0.496675  0.500000  1
  W  W10  1  0.250387  0.624390  0.500000  1
  W  W11  1  0.336097  0.750488  0.499999  1
  W  W12  1  0.417873  0.875974  0.500000  1
  W  W13  1  0.000000  0.000273  0.500000  1
  W  W14  1  0.083625  0.125123  0.499999  1
  W  W15  1  0.167075  0.249405  0.499999  1
  W  W16  1  0.250737  0.373751  0.499999  1
  W  W17  1  0.333719  0.499514  0.500000  1
  W  W18  1  0.417001  0.624780  0.500000  1
  W  W19  1  0.500000  0.750205  0.500000  1
  W  W20  1  0.582127  0.875975  0.500000  1
  W  W21  1  0.168987  0.002722  0.499999  1
  W  W22  1  0.251016  0.126184  0.499999  1
  W  W23  1  0.333930  0.250235  0.499999  1
  W  W24  1  0.416918  0.375035  0.500000  1
  W  W25  1  0.500000  0.499801  0.500000  1
  W  W26  1  0.582999  0.624780  0.499999  1
  W  W27  1  0.663904  0.750488  0.500000  1
  W  W28  1  0.746456  0.877224  0.500000  1
  W  W29  1  0.334824  0.001620  0.499999  1
  W  W30  1  0.417134  0.126001  0.500000  1
  W  W31  1  0.500000  0.250562  0.500000  1
  W  W32  1  0.583082  0.375035  0.500000  1
  W  W33  1  0.666280  0.499514  0.500000  1
  W  W34  1  0.749614  0.624390  0.500000  1
  W  W35  1  0.826154  0.751753  0.500000  1
  W  W36  1  0.908879  0.879712  0.500000  1
  W  W37  1  0.500000  0.001189  0.500000  1
  W  W38  1  0.582866  0.126001  0.500000  1
  W  W39  1  0.666070  0.250234  0.500001  1
  W  W40  1  0.749263  0.373751  0.500000  1
  W  W41  1  0.831927  0.496675  0.500000  1
  W  W42  1  0.915085  0.617940  0.500000  1
  W  W43  1  0.665176  0.001620  0.500000  1
  W  W44  1  0.748984  0.126184  0.500001  1
  W  W45  1  0.832925  0.249405  0.500001  1
  W  W46  1  0.916235  0.372846  0.500000  1
  W  W47  1  0.831013  0.002722  0.500000  1
  W  W48  1  0.916375  0.125123  0.500000  1
  S  S49  1  0.096728  0.799393  0.386523  1
  S  S50  1  0.172078  0.921105  0.388134  1
  S  S51  1  0.084844  0.535735  0.388726  1
  S  S52  1  0.166797  0.666527  0.390922  1
  S  S53  1  0.255397  0.793381  0.388643  1
  S  S54  1  0.335766  0.918441  0.388766  1
  S  S55  1  0.083536  0.290199  0.388923  1
  S  S56  1  0.167455  0.414096  0.388843  1
  S  S57  1  0.250484  0.540763  0.389310  1
  S  S58  1  0.333867  0.666418  0.389435  1
  S  S59  1  0.418112  0.792418  0.388796  1
  S  S60  1  0.500000  0.917953  0.388801  1
  S  S61  1  0.083530  0.042136  0.389277  1
  S  S62  1  0.167013  0.166620  0.388993  1
  S  S63  1  0.250481  0.290941  0.388945  1
  S  S64  1  0.333657  0.416285  0.389137  1
  S  S65  1  0.416846  0.541442  0.389215  1
  S  S66  1  0.500000  0.666558  0.389160  1
  S  S67  1  0.581888  0.792418  0.388796  1
  S  S68  1  0.664234  0.918441  0.388766  1
  S  S69  1  0.251913  0.043681  0.388808  1
  S  S70  1  0.334101  0.167486  0.388852  1
  S  S71  1  0.416922  0.292046  0.388983  1
  S  S72  1  0.500000  0.416701  0.389043  1
  S  S73  1  0.583154  0.541442  0.389215  1
  S  S74  1  0.666133  0.666418  0.389435  1
  S  S75  1  0.744602  0.793382  0.388642  1
  S  S76  1  0.827922  0.921105  0.388134  1
  S  S77  1  0.417409  0.043035  0.388799  1
  S  S78  1  0.500000  0.167614  0.388897  1
  S  S79  1  0.583078  0.292046  0.388982  1
  S  S80  1  0.666343  0.416285  0.389136  1
  S  S81  1  0.749516  0.540763  0.389309  1
  S  S82  1  0.833205  0.666528  0.390924  1
  S  S83  1  0.903271  0.799393  0.386524  1
  S  S84  1  -0.000000  0.915835  0.391842  1
  S  S85  1  0.582591  0.043035  0.388799  1
  S  S86  1  0.665899  0.167486  0.388851  1
  S  S87  1  0.749518  0.290941  0.388944  1
  S  S88  1  0.832545  0.414095  0.388842  1
  S  S89  1  0.915156  0.535735  0.388725  1
  S  S90  1  -0.000001  0.652421  0.386621  1
  S  S91  1  0.748087  0.043681  0.388808  1
  S  S92  1  0.832987  0.166620  0.388992  1
  S  S93  1  0.916464  0.290199  0.388922  1
  S  S94  1  0.000000  0.413417  0.388829  1
  S  S95  1  0.916471  0.042136  0.389277  1
  S  S96  1  0.000000  0.166234  0.389129  1
  S  S97  1  0.096728  0.799393  0.613477  1
  S  S98  1  0.172078  0.921105  0.611866  1
  S  S99  1  0.084844  0.535735  0.611275  1
  S  S100  1  0.166797  0.666527  0.609078  1
  S  S101  1  0.255397  0.793381  0.611358  1
  S  S102  1  0.335766  0.918441  0.611234  1
  S  S103  1  0.083536  0.290199  0.611078  1
  S  S104  1  0.167455  0.414096  0.611158  1
  S  S105  1  0.250484  0.540763  0.610691  1
  S  S106  1  0.333867  0.666418  0.610566  1
  S  S107  1  0.418112  0.792418  0.611204  1
  S  S108  1  0.500000  0.917953  0.611199  1
  S  S109  1  0.083530  0.042136  0.610723  1
  S  S110  1  0.167013  0.166620  0.611008  1
  S  S111  1  0.250482  0.290941  0.611056  1
  S  S112  1  0.333657  0.416285  0.610864  1
  S  S113  1  0.416846  0.541442  0.610785  1
  S  S114  1  0.500000  0.666558  0.610840  1
  S  S115  1  0.581888  0.792418  0.611204  1
  S  S116  1  0.664234  0.918441  0.611234  1
  S  S117  1  0.251913  0.043681  0.611192  1
  S  S118  1  0.334101  0.167486  0.611149  1
  S  S119  1  0.416922  0.292046  0.611018  1
  S  S120  1  0.500000  0.416700  0.610957  1
  S  S121  1  0.583154  0.541442  0.610785  1
  S  S122  1  0.666133  0.666418  0.610565  1
  S  S123  1  0.744602  0.793382  0.611358  1
  S  S124  1  0.827922  0.921105  0.611866  1
  S  S125  1  0.417409  0.043035  0.611201  1
  S  S126  1  0.500000  0.167614  0.611103  1
  S  S127  1  0.583078  0.292046  0.611017  1
  S  S128  1  0.666343  0.416285  0.610863  1
  S  S129  1  0.749516  0.540763  0.610690  1
  S  S130  1  0.833204  0.666528  0.609076  1
  S  S131  1  0.903271  0.799393  0.613477  1
  S  S132  1  -0.000000  0.915835  0.608158  1
  S  S133  1  0.582591  0.043035  0.611201  1
  S  S134  1  0.665899  0.167486  0.611148  1
  S  S135  1  0.749518  0.290941  0.611055  1
  S  S136  1  0.832545  0.414095  0.611157  1
  S  S137  1  0.915156  0.535735  0.611275  1
  S  S138  1  -0.000001  0.652421  0.613379  1
  S  S139  1  0.748087  0.043681  0.611192  1
  S  S140  1  0.832987  0.166620  0.611007  1
  S  S141  1  0.916464  0.290199  0.611077  1
  S  S142  1  -0.000000  0.413417  0.611171  1
  S  S143  1  0.916471  0.042136  0.610723  1
  S  S144  1  -0.000000  0.166234  0.610871  1
