# generated using pymatgen
data_BW48S95
_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   BW48S95
_chemical_formula_sum   'B1 W48 S95'
_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  0.083093  0.785462  0.441148  1
  W  W2  1  -0.006409  0.750234  0.505022  1
  W  W3  1  0.083573  0.877819  0.503522  1
  W  W4  1  -0.000183  0.500299  0.498782  1
  W  W5  1  0.083278  0.624586  0.500334  1
  W  W6  1  0.173082  0.750447  0.504852  1
  W  W7  1  0.250305  0.874146  0.502487  1
  W  W8  1  0.000174  0.250138  0.497934  1
  W  W9  1  0.083323  0.375250  0.497995  1
  W  W10  1  0.166833  0.500314  0.498728  1
  W  W11  1  0.250505  0.624941  0.500387  1
  W  W12  1  0.334119  0.749960  0.501696  1
  W  W13  1  0.417083  0.874973  0.500791  1
  W  W14  1  -0.000259  -0.000256  0.499536  1
  W  W15  1  0.083347  0.125242  0.498324  1
  W  W16  1  0.166499  0.250138  0.497936  1
  W  W17  1  0.250130  0.375177  0.498089  1
  W  W18  1  0.333403  0.499836  0.498823  1
  W  W19  1  0.417048  0.624825  0.499973  1
  W  W20  1  0.500568  0.749859  0.500313  1
  W  W21  1  0.583335  0.875078  0.500232  1
  W  W22  1  0.166955  -0.000232  0.499567  1
  W  W23  1  0.250248  0.125154  0.498408  1
  W  W24  1  0.333280  0.250176  0.498151  1
  W  W25  1  0.416540  0.374955  0.498299  1
  W  W26  1  0.500246  0.499869  0.498882  1
  W  W27  1  0.583312  0.624750  0.499629  1
  W  W28  1  0.666095  0.749855  0.500334  1
  W  W29  1  0.749618  0.874969  0.500784  1
  W  W30  1  0.333408  0.000434  0.499799  1
  W  W31  1  0.416579  0.124984  0.498742  1
  W  W32  1  0.500163  0.249960  0.498352  1
  W  W33  1  0.583319  0.374921  0.498428  1
  W  W34  1  0.666403  0.499859  0.498906  1
  W  W35  1  0.749598  0.624806  0.500048  1
  W  W36  1  0.832527  0.749946  0.501766  1
  W  W37  1  0.916288  0.874129  0.502431  1
  W  W38  1  0.500191  -0.000075  0.499677  1
  W  W39  1  0.583338  0.125060  0.498819  1
  W  W40  1  0.666510  0.249946  0.498355  1
  W  W41  1  0.750120  0.374947  0.498325  1
  W  W42  1  0.833217  0.499814  0.498889  1
  W  W43  1  0.916114  0.624906  0.500506  1
  W  W44  1  0.666491  -0.000083  0.499659  1
  W  W45  1  0.750109  0.124983  0.498724  1
  W  W46  1  0.833383  0.250160  0.498158  1
  W  W47  1  0.916533  0.375159  0.498116  1
  W  W48  1  0.833298  0.000409  0.499759  1
  W  W49  1  0.916436  0.125121  0.498394  1
  S  S50  1  0.166589  0.914781  0.391125  1
  S  S51  1  0.083303  0.542335  0.388386  1
  S  S52  1  0.166777  0.668344  0.391309  1
  S  S53  1  0.250585  0.792132  0.390010  1
  S  S54  1  0.332957  0.916222  0.390622  1
  S  S55  1  0.083336  0.291966  0.387094  1
  S  S56  1  0.166750  0.417134  0.387526  1
  S  S57  1  0.250215  0.542303  0.388378  1
  S  S58  1  0.333875  0.666990  0.389854  1
  S  S59  1  0.417004  0.791609  0.390189  1
  S  S60  1  0.499860  0.916434  0.389310  1
  S  S61  1  0.083351  0.041325  0.388625  1
  S  S62  1  0.166823  0.166568  0.387488  1
  S  S63  1  0.249943  0.291804  0.387348  1
  S  S64  1  0.333419  0.416914  0.387478  1
  S  S65  1  0.416865  0.541795  0.388518  1
  S  S66  1  0.500085  0.666727  0.389076  1
  S  S67  1  0.583344  0.791789  0.389278  1
  S  S68  1  0.666820  0.916418  0.389306  1
  S  S69  1  0.250150  0.041342  0.388506  1
  S  S70  1  0.333519  0.166722  0.387624  1
  S  S71  1  0.416810  0.291625  0.387558  1
  S  S72  1  0.499972  0.416713  0.387815  1
  S  S73  1  0.583334  0.541811  0.388175  1
  S  S74  1  0.666577  0.666707  0.389118  1
  S  S75  1  0.749676  0.791583  0.390202  1
  S  S76  1  0.833700  0.916204  0.390556  1
  S  S77  1  0.416886  0.041284  0.388636  1
  S  S78  1  0.499941  0.166442  0.387927  1
  S  S79  1  0.583338  0.291698  0.387556  1
  S  S80  1  0.666688  0.416701  0.387840  1
  S  S81  1  0.749787  0.541795  0.388564  1
  S  S82  1  0.832775  0.666965  0.389941  1
  S  S83  1  0.916103  0.792036  0.390109  1
  S  S84  1  0.000228  0.914700  0.391274  1
  S  S85  1  0.583337  0.041439  0.388589  1
  S  S86  1  0.666730  0.166434  0.387918  1
  S  S87  1  0.749857  0.291627  0.387578  1
  S  S88  1  0.833240  0.416907  0.387519  1
  S  S89  1  0.916412  0.542280  0.388467  1
  S  S90  1  -0.000205  0.668271  0.391297  1
  S  S91  1  0.749797  0.041278  0.388622  1
  S  S92  1  0.833177  0.166715  0.387616  1
  S  S93  1  0.916719  0.291796  0.387360  1
  S  S94  1  -0.000109  0.417140  0.387547  1
  S  S95  1  0.916559  0.041316  0.388463  1
  S  S96  1  -0.000142  0.166560  0.387498  1
  S  S97  1  0.083368  0.791796  0.610585  1
  S  S98  1  0.167302  0.918057  0.613470  1
  S  S99  1  0.083340  0.541079  0.609917  1
  S  S100  1  0.167116  0.665358  0.612535  1
  S  S101  1  0.253714  0.792784  0.616592  1
  S  S102  1  0.334036  0.917493  0.611425  1
  S  S103  1  0.083335  0.291933  0.608716  1
  S  S104  1  0.166712  0.416639  0.608871  1
  S  S105  1  0.250300  0.541100  0.610049  1
  S  S106  1  0.334239  0.666160  0.611408  1
  S  S107  1  0.418014  0.791558  0.611634  1
  S  S108  1  0.500256  0.916927  0.611143  1
  S  S109  1  0.083343  0.042274  0.609456  1
  S  S110  1  0.166728  0.166931  0.608864  1
  S  S111  1  0.249795  0.291786  0.608711  1
  S  S112  1  0.333328  0.416464  0.609247  1
  S  S113  1  0.416895  0.541072  0.609922  1
  S  S114  1  0.500325  0.666286  0.610797  1
  S  S115  1  0.583330  0.791804  0.611224  1
  S  S116  1  0.666432  0.916923  0.611123  1
  S  S117  1  0.249999  0.042333  0.609910  1
  S  S118  1  0.333310  0.167054  0.609188  1
  S  S119  1  0.416693  0.291608  0.608943  1
  S  S120  1  0.499900  0.416359  0.609235  1
  S  S121  1  0.583315  0.541289  0.610044  1
  S  S122  1  0.666297  0.666280  0.610819  1
  S  S123  1  0.748640  0.791569  0.611655  1
  S  S124  1  0.832660  0.917496  0.611412  1
  S  S125  1  0.416931  0.042041  0.610155  1
  S  S126  1  0.499903  0.166767  0.609324  1
  S  S127  1  0.583336  0.291662  0.609189  1
  S  S128  1  0.666735  0.416344  0.609249  1
  S  S129  1  0.749725  0.541054  0.609993  1
  S  S130  1  0.832391  0.666148  0.611497  1
  S  S131  1  0.912932  0.792825  0.616587  1
  S  S132  1  -0.000510  0.917976  0.613272  1
  S  S133  1  0.583352  0.042048  0.610128  1
  S  S134  1  0.666781  0.166757  0.609323  1
  S  S135  1  0.749970  0.291592  0.608961  1
  S  S136  1  0.833328  0.416433  0.609291  1
  S  S137  1  0.916325  0.541049  0.610129  1
  S  S138  1  -0.000456  0.665230  0.612730  1
  S  S139  1  0.749768  0.042030  0.610113  1
  S  S140  1  0.833381  0.167033  0.609180  1
  S  S141  1  0.916871  0.291762  0.608725  1
  S  S142  1  -0.000052  0.416624  0.608907  1
  S  S143  1  0.916699  0.042289  0.609888  1
  S  S144  1  -0.000053  0.166922  0.608856  1
