# generated using pymatgen
data_BW47S96
_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   BW47S96
_chemical_formula_sum   'B1 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
  B  B1  1  0.000002  0.736301  0.444589  1
  W  W2  1  0.084219  0.874705  0.508375  1
  W  W3  1  1.000002  0.500345  0.496892  1
  W  W4  1  0.084390  0.624725  0.492396  1
  W  W5  1  0.170551  0.749361  0.504844  1
  W  W6  1  0.250988  0.875190  0.502298  1
  W  W7  1  -0.000001  0.249121  0.500390  1
  W  W8  1  0.083208  0.374467  0.499766  1
  W  W9  1  0.165614  0.499870  0.499279  1
  W  W10  1  0.249989  0.625031  0.500367  1
  W  W11  1  0.334333  0.750983  0.500640  1
  W  W12  1  0.417149  0.875786  0.499727  1
  W  W13  1  0.999999  -0.001646  0.503589  1
  W  W14  1  0.083364  0.123990  0.501184  1
  W  W15  1  0.166517  0.249429  0.500276  1
  W  W16  1  0.249594  0.374894  0.500545  1
  W  W17  1  0.333125  0.500012  0.500883  1
  W  W18  1  0.416738  0.625375  0.501162  1
  W  W19  1  0.500000  0.750729  0.500169  1
  W  W20  1  0.582852  0.875783  0.499711  1
  W  W21  1  0.167508  -0.000821  0.501758  1
  W  W22  1  0.250143  0.124746  0.499969  1
  W  W23  1  0.333193  0.250078  0.499941  1
  W  W24  1  0.416534  0.375164  0.500629  1
  W  W25  1  0.500000  0.500267  0.501235  1
  W  W26  1  0.583261  0.625373  0.501145  1
  W  W27  1  0.665665  0.750982  0.500612  1
  W  W28  1  0.749011  0.875188  0.502266  1
  W  W29  1  0.333764  1.000483  0.499806  1
  W  W30  1  0.416755  0.125481  0.499201  1
  W  W31  1  0.500000  0.250344  0.499710  1
  W  W32  1  0.583469  0.375165  0.500622  1
  W  W33  1  0.666876  0.500012  0.500860  1
  W  W34  1  0.750014  0.625029  0.500340  1
  W  W35  1  0.829451  0.749360  0.504818  1
  W  W36  1  0.915777  0.874705  0.508360  1
  W  W37  1  0.500001  1.000731  0.499102  1
  W  W38  1  0.583244  0.125481  0.499190  1
  W  W39  1  0.666804  0.250080  0.499930  1
  W  W40  1  0.750409  0.374893  0.500529  1
  W  W41  1  0.834389  0.499868  0.499259  1
  W  W42  1  0.915612  0.624724  0.492381  1
  W  W43  1  0.666237  1.000481  0.499778  1
  W  W44  1  0.749855  0.124748  0.499954  1
  W  W45  1  0.833482  0.249430  0.500266  1
  W  W46  1  0.916796  0.374466  0.499758  1
  W  W47  1  0.832489  -0.000819  0.501735  1
  W  W48  1  0.916632  0.123990  0.501176  1
  S  S49  1  0.077630  0.786289  0.403968  1
  S  S50  1  0.165361  0.914771  0.392938  1
  S  S51  1  0.084188  0.540280  0.384878  1
  S  S52  1  0.169265  0.668246  0.388844  1
  S  S53  1  0.250377  0.792258  0.390842  1
  S  S54  1  0.333092  0.916926  0.389616  1
  S  S55  1  0.083186  0.290807  0.389499  1
  S  S56  1  0.166574  0.416258  0.389377  1
  S  S57  1  0.250176  0.541623  0.389935  1
  S  S58  1  0.333809  0.666987  0.390344  1
  S  S59  1  0.416951  0.792294  0.389142  1
  S  S60  1  0.499994  0.917365  0.388430  1
  S  S61  1  0.082943  0.039839  0.391850  1
  S  S62  1  0.166187  0.165814  0.389828  1
  S  S63  1  0.249600  0.291601  0.389637  1
  S  S64  1  0.333082  0.416830  0.390156  1
  S  S65  1  0.416638  0.541956  0.390655  1
  S  S66  1  0.499994  0.666910  0.390266  1
  S  S67  1  0.583038  0.792292  0.389124  1
  S  S68  1  0.666905  0.916925  0.389591  1
  S  S69  1  0.249555  0.041117  0.389590  1
  S  S70  1  0.332984  0.166875  0.388928  1
  S  S71  1  0.416455  0.292153  0.389414  1
  S  S72  1  0.499999  0.417118  0.390304  1
  S  S73  1  0.583354  0.541954  0.390642  1
  S  S74  1  0.666188  0.666983  0.390319  1
  S  S75  1  0.749622  0.792255  0.390810  1
  S  S76  1  0.834638  0.914772  0.392912  1
  S  S77  1  0.416533  0.042173  0.388430  1
  S  S78  1  0.499995  0.167314  0.388501  1
  S  S79  1  0.583536  0.292155  0.389401  1
  S  S80  1  0.666917  0.416826  0.390141  1
  S  S81  1  0.749825  0.541618  0.389907  1
  S  S82  1  0.830745  0.668243  0.388818  1
  S  S83  1  0.922378  0.786289  0.403953  1
  S  S84  1  0.000003  0.914017  0.395943  1
  S  S85  1  0.583462  0.042174  0.388417  1
  S  S86  1  0.667010  0.166876  0.388910  1
  S  S87  1  0.750399  0.291600  0.389619  1
  S  S88  1  0.833436  0.416253  0.389358  1
  S  S89  1  0.915823  0.540276  0.384865  1
  S  S90  1  0.000008  0.663594  0.371997  1
  S  S91  1  0.750445  0.041120  0.389563  1
  S  S92  1  0.833811  0.165816  0.389811  1
  S  S93  1  0.916818  0.290807  0.389491  1
  S  S94  1  0.000005  0.415728  0.388442  1
  S  S95  1  0.917060  0.039839  0.391839  1
  S  S96  1  0.000001  0.165292  0.390313  1
  S  S97  1  0.090616  0.792651  0.618883  1
  S  S98  1  0.168927  0.917061  0.615062  1
  S  S99  1  0.081380  0.544304  0.607722  1
  S  S100  1  0.164383  0.665134  0.610056  1
  S  S101  1  0.252924  0.792324  0.613880  1
  S  S102  1  0.334645  0.917573  0.611225  1
  S  S103  1  0.083173  0.291246  0.610833  1
  S  S104  1  0.165780  0.416925  0.610762  1
  S  S105  1  0.248984  0.541474  0.610691  1
  S  S106  1  0.333172  0.667111  0.611382  1
  S  S107  1  0.417377  0.792672  0.611039  1
  S  S108  1  0.500005  0.917742  0.610327  1
  S  S109  1  0.083828  0.040985  0.612707  1
  S  S110  1  0.166882  0.166139  0.611056  1
  S  S111  1  0.249741  0.291415  0.610887  1
  S  S112  1  0.332937  0.416620  0.611361  1
  S  S113  1  0.416393  0.541928  0.611739  1
  S  S114  1  0.500004  0.667444  0.611465  1
  S  S115  1  0.582631  0.792670  0.611024  1
  S  S116  1  0.665358  0.917574  0.611196  1
  S  S117  1  0.250796  0.041760  0.611224  1
  S  S118  1  0.333498  0.166711  0.610335  1
  S  S119  1  0.416594  0.291650  0.610744  1
  S  S120  1  0.500004  0.416728  0.611449  1
  S  S121  1  0.583614  0.541926  0.611724  1
  S  S122  1  0.666834  0.667110  0.611353  1
  S  S123  1  0.747079  0.792320  0.613848  1
  S  S124  1  0.831064  0.917062  0.615038  1
  S  S125  1  0.417036  0.042381  0.610081  1
  S  S126  1  0.500003  0.166996  0.610021  1
  S  S127  1  0.583410  0.291650  0.610735  1
  S  S128  1  0.667070  0.416622  0.611346  1
  S  S129  1  0.751019  0.541475  0.610666  1
  S  S130  1  0.835616  0.665132  0.610029  1
  S  S131  1  0.909380  0.792650  0.618865  1
  S  S132  1  0.999992  0.915453  0.616399  1
  S  S133  1  0.582974  0.042381  0.610067  1
  S  S134  1  0.666501  0.166711  0.610317  1
  S  S135  1  0.750257  0.291415  0.610870  1
  S  S136  1  0.834222  0.416925  0.610747  1
  S  S137  1  0.918615  0.544304  0.607710  1
  S  S138  1  -0.000001  0.694556  0.565740  1
  S  S139  1  0.749201  0.041761  0.611199  1
  S  S140  1  0.833108  0.166139  0.611039  1
  S  S141  1  0.916821  0.291246  0.610826  1
  S  S142  1  -0.000000  0.417506  0.609206  1
  S  S143  1  0.916162  0.040987  0.612695  1
  S  S144  1  -0.000006  0.165890  0.611463  1
