# 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  0.749872  0.500000  1
  W  W2  1  0.088156  0.879013  0.499999  1
  W  W3  1  -0.000000  0.496365  0.500000  1
  W  W4  1  0.084847  0.619180  0.500000  1
  W  W5  1  0.172859  0.751734  0.499999  1
  W  W6  1  0.253063  0.876882  0.499999  1
  W  W7  1  -0.000000  0.248759  0.500000  1
  W  W8  1  0.083579  0.372916  0.500001  1
  W  W9  1  0.166980  0.497429  0.500000  1
  W  W10  1  0.249915  0.624994  0.499999  1
  W  W11  1  0.335366  0.751119  0.499998  1
  W  W12  1  0.417701  0.876218  0.499999  1
  W  W13  1  -0.000000  -0.000153  0.500000  1
  W  W14  1  0.083641  0.124670  0.500001  1
  W  W15  1  0.167065  0.249146  0.500001  1
  W  W16  1  0.250455  0.373920  0.500001  1
  W  W17  1  0.333446  0.499722  0.500000  1
  W  W18  1  0.416804  0.625184  0.499999  1
  W  W19  1  0.500000  0.750621  0.500000  1
  W  W20  1  0.582299  0.876218  0.500002  1
  W  W21  1  0.168876  0.001363  0.500000  1
  W  W22  1  0.250922  0.125594  0.500001  1
  W  W23  1  0.333791  0.250044  0.500001  1
  W  W24  1  0.416772  0.375050  0.500000  1
  W  W25  1  0.500000  0.500117  0.500000  1
  W  W26  1  0.583196  0.625184  0.500000  1
  W  W27  1  0.664634  0.751119  0.500002  1
  W  W28  1  0.746937  0.876882  0.500002  1
  W  W29  1  0.334697  0.001332  0.500000  1
  W  W30  1  0.417122  0.125856  0.500001  1
  W  W31  1  0.500000  0.250449  0.500000  1
  W  W32  1  0.583228  0.375050  0.500000  1
  W  W33  1  0.666554  0.499722  0.500000  1
  W  W34  1  0.750086  0.624993  0.500000  1
  W  W35  1  0.827141  0.751734  0.500001  1
  W  W36  1  0.911844  0.879013  0.500001  1
  W  W37  1  0.500000  0.001174  0.500001  1
  W  W38  1  0.582878  0.125856  0.500000  1
  W  W39  1  0.666209  0.250044  0.499999  1
  W  W40  1  0.749545  0.373920  0.500000  1
  W  W41  1  0.833020  0.497429  0.500000  1
  W  W42  1  0.915153  0.619180  0.500000  1
  W  W43  1  0.665303  0.001332  0.500001  1
  W  W44  1  0.749078  0.125594  0.500000  1
  W  W45  1  0.832935  0.249146  0.500000  1
  W  W46  1  0.916421  0.372916  0.500000  1
  W  W47  1  0.831124  0.001363  0.500001  1
  W  W48  1  0.916359  0.124670  0.500000  1
  S  S49  1  0.096480  0.798387  0.381921  1
  S  S50  1  0.170393  0.919225  0.388450  1
  S  S51  1  0.083891  0.537287  0.388599  1
  S  S52  1  0.166086  0.666909  0.391196  1
  S  S53  1  0.254086  0.793492  0.388520  1
  S  S54  1  0.335323  0.918285  0.388684  1
  S  S55  1  0.083499  0.290112  0.389100  1
  S  S56  1  0.167012  0.414700  0.389110  1
  S  S57  1  0.249952  0.541255  0.389610  1
  S  S58  1  0.333497  0.666941  0.389566  1
  S  S59  1  0.417718  0.792682  0.389002  1
  S  S60  1  0.500000  0.917991  0.388835  1
  S  S61  1  0.083716  0.041518  0.389448  1
  S  S62  1  0.167024  0.166206  0.389162  1
  S  S63  1  0.250338  0.290956  0.389121  1
  S  S64  1  0.333415  0.416442  0.389310  1
  S  S65  1  0.416623  0.541769  0.389422  1
  S  S66  1  0.500000  0.666964  0.389383  1
  S  S67  1  0.582282  0.792682  0.389000  1
  S  S68  1  0.664677  0.918285  0.388683  1
  S  S69  1  0.251476  0.042796  0.388939  1
  S  S70  1  0.333926  0.167158  0.388989  1
  S  S71  1  0.416827  0.291958  0.389126  1
  S  S72  1  0.500000  0.416841  0.389277  1
  S  S73  1  0.583377  0.541769  0.389422  1
  S  S74  1  0.666503  0.666940  0.389566  1
  S  S75  1  0.745914  0.793492  0.388519  1
  S  S76  1  0.829607  0.919225  0.388449  1
  S  S77  1  0.417294  0.042869  0.388879  1
  S  S78  1  0.500000  0.167478  0.388965  1
  S  S79  1  0.583173  0.291958  0.389126  1
  S  S80  1  0.666585  0.416442  0.389310  1
  S  S81  1  0.750048  0.541255  0.389610  1
  S  S82  1  0.833914  0.666909  0.391195  1
  S  S83  1  0.903520  0.798387  0.381920  1
  S  S84  1  0.000000  0.916114  0.391111  1
  S  S85  1  0.582706  0.042869  0.388879  1
  S  S86  1  0.666074  0.167158  0.388989  1
  S  S87  1  0.749662  0.290956  0.389121  1
  S  S88  1  0.832988  0.414700  0.389111  1
  S  S89  1  0.916108  0.537287  0.388599  1
  S  S90  1  -0.000000  0.653212  0.382018  1
  S  S91  1  0.748524  0.042797  0.388939  1
  S  S92  1  0.832976  0.166206  0.389163  1
  S  S93  1  0.916501  0.290112  0.389100  1
  S  S94  1  -0.000000  0.413805  0.388887  1
  S  S95  1  0.916284  0.041518  0.389448  1
  S  S96  1  -0.000000  0.165750  0.389263  1
  S  S97  1  0.096480  0.798387  0.618080  1
  S  S98  1  0.170393  0.919225  0.611550  1
  S  S99  1  0.083891  0.537287  0.611401  1
  S  S100  1  0.166086  0.666908  0.608805  1
  S  S101  1  0.254086  0.793492  0.611481  1
  S  S102  1  0.335323  0.918285  0.611316  1
  S  S103  1  0.083499  0.290112  0.610899  1
  S  S104  1  0.167012  0.414700  0.610889  1
  S  S105  1  0.249951  0.541256  0.610390  1
  S  S106  1  0.333497  0.666940  0.610434  1
  S  S107  1  0.417718  0.792682  0.610999  1
  S  S108  1  0.500000  0.917991  0.611164  1
  S  S109  1  0.083716  0.041518  0.610552  1
  S  S110  1  0.167024  0.166206  0.610837  1
  S  S111  1  0.250338  0.290956  0.610878  1
  S  S112  1  0.333415  0.416442  0.610690  1
  S  S113  1  0.416623  0.541769  0.610578  1
  S  S114  1  0.500000  0.666964  0.610617  1
  S  S115  1  0.582282  0.792682  0.610998  1
  S  S116  1  0.664677  0.918285  0.611315  1
  S  S117  1  0.251476  0.042797  0.611061  1
  S  S118  1  0.333926  0.167158  0.611010  1
  S  S119  1  0.416827  0.291958  0.610874  1
  S  S120  1  0.500000  0.416841  0.610723  1
  S  S121  1  0.583377  0.541769  0.610578  1
  S  S122  1  0.666504  0.666940  0.610433  1
  S  S123  1  0.745914  0.793492  0.611479  1
  S  S124  1  0.829607  0.919225  0.611549  1
  S  S125  1  0.417294  0.042869  0.611120  1
  S  S126  1  0.500000  0.167478  0.611034  1
  S  S127  1  0.583173  0.291958  0.610874  1
  S  S128  1  0.666585  0.416442  0.610690  1
  S  S129  1  0.750048  0.541255  0.610390  1
  S  S130  1  0.833914  0.666909  0.608804  1
  S  S131  1  0.903520  0.798388  0.618079  1
  S  S132  1  -0.000000  0.916114  0.608889  1
  S  S133  1  0.582706  0.042869  0.611120  1
  S  S134  1  0.666074  0.167158  0.611011  1
  S  S135  1  0.749662  0.290956  0.610879  1
  S  S136  1  0.832988  0.414700  0.610889  1
  S  S137  1  0.916108  0.537287  0.611401  1
  S  S138  1  -0.000000  0.653212  0.617982  1
  S  S139  1  0.748524  0.042796  0.611061  1
  S  S140  1  0.832976  0.166206  0.610837  1
  S  S141  1  0.916501  0.290112  0.610900  1
  S  S142  1  0.000000  0.413805  0.611112  1
  S  S143  1  0.916284  0.041518  0.610552  1
  S  S144  1  0.000000  0.165750  0.610737  1
