# 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  0.083330  0.785466  0.442231  1
  W  W2  1  -0.006590  0.750191  0.505454  1
  W  W3  1  0.083337  0.877964  0.503894  1
  W  W4  1  -0.000153  0.500210  0.498823  1
  W  W5  1  0.083332  0.624616  0.500714  1
  W  W6  1  0.173256  0.750193  0.505453  1
  W  W7  1  0.250375  0.874138  0.502723  1
  W  W8  1  0.000186  0.250071  0.497666  1
  W  W9  1  0.083333  0.375205  0.497917  1
  W  W10  1  0.166817  0.500211  0.498821  1
  W  W11  1  0.250564  0.624898  0.500634  1
  W  W12  1  0.334062  0.750009  0.501948  1
  W  W13  1  0.416962  0.874993  0.501028  1
  W  W14  1  -0.000213  -0.000273  0.499731  1
  W  W15  1  0.083334  0.125222  0.498314  1
  W  W16  1  0.166482  0.250071  0.497665  1
  W  W17  1  0.250187  0.375116  0.497853  1
  W  W18  1  0.333399  0.499852  0.498758  1
  W  W19  1  0.416991  0.624817  0.500170  1
  W  W20  1  0.500622  0.749893  0.500620  1
  W  W21  1  0.583333  0.875124  0.500580  1
  W  W22  1  0.166882  -0.000273  0.499731  1
  W  W23  1  0.250285  0.125111  0.498278  1
  W  W24  1  0.333300  0.250202  0.497652  1
  W  W25  1  0.416512  0.374940  0.497812  1
  W  W26  1  0.500283  0.499905  0.498757  1
  W  W27  1  0.583333  0.624863  0.499888  1
  W  W28  1  0.666044  0.749893  0.500620  1
  W  W29  1  0.749705  0.874993  0.501028  1
  W  W30  1  0.333324  0.000448  0.499842  1
  W  W31  1  0.416524  0.124964  0.498480  1
  W  W32  1  0.500227  0.249953  0.497733  1
  W  W33  1  0.583333  0.375043  0.497824  1
  W  W34  1  0.666381  0.499905  0.498757  1
  W  W35  1  0.749674  0.624817  0.500171  1
  W  W36  1  0.832604  0.750010  0.501950  1
  W  W37  1  0.916292  0.874138  0.502723  1
  W  W38  1  0.500237  -0.000071  0.499835  1
  W  W39  1  0.583334  0.125119  0.498578  1
  W  W40  1  0.666440  0.249952  0.497733  1
  W  W41  1  0.750154  0.374940  0.497812  1
  W  W42  1  0.833265  0.499851  0.498760  1
  W  W43  1  0.916100  0.624898  0.500637  1
  W  W44  1  0.666431  -0.000071  0.499835  1
  W  W45  1  0.750144  0.124964  0.498479  1
  W  W46  1  0.833367  0.250202  0.497652  1
  W  W47  1  0.916479  0.375115  0.497853  1
  W  W48  1  0.833345  0.000448  0.499841  1
  W  W49  1  0.916383  0.125110  0.498277  1
  S  S50  1  0.166503  0.914635  0.391492  1
  S  S51  1  0.083330  0.542404  0.388653  1
  S  S52  1  0.166789  0.668322  0.391676  1
  S  S53  1  0.250425  0.792056  0.390350  1
  S  S54  1  0.332912  0.916218  0.390743  1
  S  S55  1  0.083334  0.291955  0.386946  1
  S  S56  1  0.166726  0.417119  0.387520  1
  S  S57  1  0.250127  0.542313  0.388529  1
  S  S58  1  0.333851  0.667049  0.390115  1
  S  S59  1  0.416993  0.791615  0.390543  1
  S  S60  1  0.499836  0.916382  0.389658  1
  S  S61  1  0.083333  0.041252  0.388770  1
  S  S62  1  0.166824  0.166441  0.387408  1
  S  S63  1  0.249859  0.291795  0.387025  1
  S  S64  1  0.333350  0.417021  0.387266  1
  S  S65  1  0.416847  0.541913  0.388595  1
  S  S66  1  0.500053  0.666784  0.389425  1
  S  S67  1  0.583333  0.791855  0.389645  1
  S  S68  1  0.666832  0.916382  0.389658  1
  S  S69  1  0.250017  0.041219  0.388556  1
  S  S70  1  0.333469  0.166631  0.387360  1
  S  S71  1  0.416844  0.291631  0.387045  1
  S  S72  1  0.499903  0.416890  0.387452  1
  S  S73  1  0.583333  0.542040  0.388287  1
  S  S74  1  0.666613  0.666784  0.389425  1
  S  S75  1  0.749674  0.791615  0.390543  1
  S  S76  1  0.833756  0.916217  0.390742  1
  S  S77  1  0.416913  0.041138  0.388698  1
  S  S78  1  0.499911  0.166299  0.387588  1
  S  S79  1  0.583333  0.291791  0.386974  1
  S  S80  1  0.666763  0.416890  0.387451  1
  S  S81  1  0.749818  0.541913  0.388596  1
  S  S82  1  0.832815  0.667050  0.390117  1
  S  S83  1  0.916242  0.792056  0.390351  1
  S  S84  1  0.000166  0.914634  0.391493  1
  S  S85  1  0.583334  0.041362  0.388688  1
  S  S86  1  0.666756  0.166299  0.387587  1
  S  S87  1  0.749823  0.291631  0.387045  1
  S  S88  1  0.833315  0.417020  0.387266  1
  S  S89  1  0.916537  0.542312  0.388532  1
  S  S90  1  -0.000125  0.668321  0.391677  1
  S  S91  1  0.749756  0.041138  0.388697  1
  S  S92  1  0.833199  0.166631  0.387359  1
  S  S93  1  0.916808  0.291795  0.387026  1
  S  S94  1  -0.000060  0.417119  0.387521  1
  S  S95  1  0.916653  0.041219  0.388555  1
  S  S96  1  -0.000155  0.166441  0.387407  1
  S  S97  1  0.083333  0.791792  0.610731  1
  S  S98  1  0.167326  0.918046  0.613721  1
  S  S99  1  0.083333  0.540945  0.610025  1
  S  S100  1  0.167238  0.665151  0.613049  1
  S  S101  1  0.253731  0.792829  0.617008  1
  S  S102  1  0.333983  0.917614  0.611629  1
  S  S103  1  0.083334  0.291818  0.608442  1
  S  S104  1  0.166795  0.416464  0.608784  1
  S  S105  1  0.250334  0.540949  0.610111  1
  S  S106  1  0.334249  0.666173  0.611632  1
  S  S107  1  0.417980  0.791604  0.611849  1
  S  S108  1  0.500163  0.916974  0.611359  1
  S  S109  1  0.083335  0.042352  0.609613  1
  S  S110  1  0.166804  0.166942  0.608695  1
  S  S111  1  0.249867  0.291700  0.608305  1
  S  S112  1  0.333411  0.416374  0.608928  1
  S  S113  1  0.416912  0.540981  0.609886  1
  S  S114  1  0.500250  0.666284  0.611039  1
  S  S115  1  0.583333  0.791845  0.611565  1
  S  S116  1  0.666506  0.916974  0.611358  1
  S  S117  1  0.249945  0.042383  0.609936  1
  S  S118  1  0.333348  0.167176  0.608815  1
  S  S119  1  0.416798  0.291589  0.608284  1
  S  S120  1  0.499901  0.416263  0.608727  1
  S  S121  1  0.583333  0.541264  0.609986  1
  S  S122  1  0.666415  0.666285  0.611040  1
  S  S123  1  0.748686  0.791605  0.611850  1
  S  S124  1  0.832685  0.917614  0.611629  1
  S  S125  1  0.416885  0.042130  0.610080  1
  S  S126  1  0.499859  0.166904  0.608879  1
  S  S127  1  0.583333  0.291767  0.608449  1
  S  S128  1  0.666764  0.416262  0.608728  1
  S  S129  1  0.749752  0.540981  0.609887  1
  S  S130  1  0.832416  0.666173  0.611635  1
  S  S131  1  0.912936  0.792829  0.617009  1
  S  S132  1  -0.000657  0.918046  0.613721  1
  S  S133  1  0.583335  0.042249  0.610152  1
  S  S134  1  0.666809  0.166903  0.608879  1
  S  S135  1  0.749868  0.291588  0.608283  1
  S  S136  1  0.833254  0.416371  0.608930  1
  S  S137  1  0.916329  0.540948  0.610112  1
  S  S138  1  -0.000573  0.665150  0.613053  1
  S  S139  1  0.749785  0.042129  0.610077  1
  S  S140  1  0.833320  0.167175  0.608815  1
  S  S141  1  0.916800  0.291698  0.608305  1
  S  S142  1  -0.000129  0.416463  0.608785  1
  S  S143  1  0.916724  0.042383  0.609935  1
  S  S144  1  -0.000136  0.166942  0.608695  1
