# 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  0.083331  0.788006  0.438047  1
  W  W2  1  -0.004099  0.750029  0.505854  1
  W  W3  1  0.083336  0.877093  0.505293  1
  W  W4  1  -0.000129  0.499918  0.499279  1
  W  W5  1  0.083336  0.624419  0.501573  1
  W  W6  1  0.170765  0.750026  0.505854  1
  W  W7  1  0.250553  0.874651  0.502862  1
  W  W8  1  0.000019  0.249948  0.498142  1
  W  W9  1  0.083335  0.374904  0.498378  1
  W  W10  1  0.166803  0.499912  0.499284  1
  W  W11  1  0.250065  0.624737  0.500974  1
  W  W12  1  0.333954  0.750181  0.501717  1
  W  W13  1  0.417119  0.875123  0.500401  1
  W  W14  1  -0.000496  -0.000159  0.500740  1
  W  W15  1  0.083330  0.124925  0.498957  1
  W  W16  1  0.166645  0.249945  0.498137  1
  W  W17  1  0.250000  0.374943  0.498129  1
  W  W18  1  0.333374  0.499829  0.498801  1
  W  W19  1  0.416864  0.624954  0.499665  1
  W  W20  1  0.500246  0.750006  0.499720  1
  W  W21  1  0.583334  0.875135  0.499636  1
  W  W22  1  0.167153  -0.000162  0.500735  1
  W  W23  1  0.250091  0.125047  0.498671  1
  W  W24  1  0.333319  0.250041  0.497817  1
  W  W25  1  0.416699  0.374994  0.497798  1
  W  W26  1  0.500049  0.499945  0.498398  1
  W  W27  1  0.583333  0.624899  0.499139  1
  W  W28  1  0.666423  0.750008  0.499714  1
  W  W29  1  0.749549  0.875128  0.500400  1
  W  W30  1  0.333537  0.000291  0.499896  1
  W  W31  1  0.416772  0.125129  0.498390  1
  W  W32  1  0.499995  0.250074  0.497678  1
  W  W33  1  0.583336  0.374975  0.497703  1
  W  W34  1  0.666623  0.499949  0.498386  1
  W  W35  1  0.749807  0.624955  0.499656  1
  W  W36  1  0.832718  0.750183  0.501708  1
  W  W37  1  0.916109  0.874654  0.502871  1
  W  W38  1  0.500097  0.000127  0.499239  1
  W  W39  1  0.583331  0.125142  0.498264  1
  W  W40  1  0.666670  0.250081  0.497684  1
  W  W41  1  0.749970  0.374998  0.497792  1
  W  W42  1  0.833296  0.499833  0.498783  1
  W  W43  1  0.916607  0.624740  0.500970  1
  W  W44  1  0.666562  0.000128  0.499241  1
  W  W45  1  0.749889  0.125133  0.498399  1
  W  W46  1  0.833345  0.250046  0.497828  1
  W  W47  1  0.916673  0.374949  0.498124  1
  W  W48  1  0.833124  0.000294  0.499907  1
  W  W49  1  0.916570  0.125051  0.498682  1
  S  S50  1  0.166160  0.914822  0.392217  1
  S  S51  1  0.083339  0.542149  0.389226  1
  S  S52  1  0.166113  0.668374  0.392134  1
  S  S53  1  0.249485  0.792006  0.391432  1
  S  S54  1  0.332923  0.916268  0.390502  1
  S  S55  1  0.083332  0.291649  0.387402  1
  S  S56  1  0.166570  0.416929  0.387792  1
  S  S57  1  0.249892  0.542186  0.388743  1
  S  S58  1  0.333117  0.667052  0.390083  1
  S  S59  1  0.416484  0.791742  0.389719  1
  S  S60  1  0.499918  0.916604  0.388859  1
  S  S61  1  0.083329  0.040834  0.389542  1
  S  S62  1  0.166573  0.166325  0.387808  1
  S  S63  1  0.249837  0.291663  0.387187  1
  S  S64  1  0.333218  0.416852  0.387409  1
  S  S65  1  0.416542  0.541939  0.388216  1
  S  S66  1  0.499951  0.666795  0.388677  1
  S  S67  1  0.583333  0.791785  0.388826  1
  S  S68  1  0.666748  0.916606  0.388862  1
  S  S69  1  0.249933  0.041154  0.388883  1
  S  S70  1  0.333284  0.166464  0.387473  1
  S  S71  1  0.416580  0.291702  0.386925  1
  S  S72  1  0.500004  0.416864  0.387134  1
  S  S73  1  0.583333  0.541865  0.387806  1
  S  S74  1  0.666714  0.666793  0.388676  1
  S  S75  1  0.750184  0.791747  0.389714  1
  S  S76  1  0.833746  0.916274  0.390508  1
  S  S77  1  0.416636  0.041412  0.388379  1
  S  S78  1  0.499986  0.166547  0.387266  1
  S  S79  1  0.583334  0.291685  0.386856  1
  S  S80  1  0.666664  0.416866  0.387128  1
  S  S81  1  0.750129  0.541944  0.388203  1
  S  S82  1  0.833557  0.667055  0.390079  1
  S  S83  1  0.917183  0.792015  0.391429  1
  S  S84  1  0.000498  0.914825  0.392222  1
  S  S85  1  0.583331  0.041494  0.388107  1
  S  S86  1  0.666678  0.166556  0.387272  1
  S  S87  1  0.750089  0.291704  0.386927  1
  S  S88  1  0.833455  0.416851  0.387398  1
  S  S89  1  0.916783  0.542193  0.388731  1
  S  S90  1  0.000562  0.668378  0.392136  1
  S  S91  1  0.750022  0.041418  0.388389  1
  S  S92  1  0.833377  0.166470  0.387484  1
  S  S93  1  0.916827  0.291665  0.387194  1
  S  S94  1  0.000106  0.416935  0.387787  1
  S  S95  1  0.916721  0.041160  0.388892  1
  S  S96  1  0.000085  0.166328  0.387817  1
  S  S97  1  0.083333  0.791752  0.613742  1
  S  S98  1  0.167871  0.918052  0.614279  1
  S  S99  1  0.083336  0.540550  0.610767  1
  S  S100  1  0.167111  0.664925  0.613632  1
  S  S101  1  0.253333  0.792704  0.615941  1
  S  S102  1  0.334478  0.917440  0.611648  1
  S  S103  1  0.083335  0.291526  0.608964  1
  S  S104  1  0.166764  0.416234  0.609297  1
  S  S105  1  0.250391  0.540852  0.610393  1
  S  S106  1  0.334025  0.666201  0.611276  1
  S  S107  1  0.417906  0.791758  0.611321  1
  S  S108  1  0.500431  0.917089  0.610607  1
  S  S109  1  0.083330  0.042108  0.610460  1
  S  S110  1  0.166733  0.166868  0.609277  1
  S  S111  1  0.250052  0.291599  0.608728  1
  S  S112  1  0.333491  0.416259  0.608978  1
  S  S113  1  0.416897  0.541219  0.609645  1
  S  S114  1  0.500323  0.666467  0.610257  1
  S  S115  1  0.583337  0.791773  0.610460  1
  S  S116  1  0.666238  0.917090  0.610608  1
  S  S117  1  0.250442  0.042408  0.610464  1
  S  S118  1  0.333497  0.167008  0.608989  1
  S  S119  1  0.416701  0.291700  0.608467  1
  S  S120  1  0.500080  0.416421  0.608688  1
  S  S121  1  0.583339  0.541312  0.609402  1
  S  S122  1  0.666349  0.666466  0.610249  1
  S  S123  1  0.748765  0.791761  0.611312  1
  S  S124  1  0.832186  0.917440  0.611655  1
  S  S125  1  0.417052  0.042252  0.609927  1
  S  S126  1  0.500085  0.167032  0.608851  1
  S  S127  1  0.583331  0.291692  0.608426  1
  S  S128  1  0.666593  0.416427  0.608684  1
  S  S129  1  0.749778  0.541223  0.609633  1
  S  S130  1  0.832645  0.666202  0.611270  1
  S  S131  1  0.913328  0.792708  0.615944  1
  S  S132  1  -0.001209  0.918055  0.614287  1
  S  S133  1  0.583331  0.042160  0.609668  1
  S  S134  1  0.666574  0.167038  0.608856  1
  S  S135  1  0.749965  0.291711  0.608473  1
  S  S136  1  0.833180  0.416267  0.608968  1
  S  S137  1  0.916278  0.540855  0.610386  1
  S  S138  1  -0.000440  0.664927  0.613630  1
  S  S139  1  0.749602  0.042254  0.609935  1
  S  S140  1  0.833160  0.167013  0.609001  1
  S  S141  1  0.916616  0.291608  0.608734  1
  S  S142  1  -0.000089  0.416239  0.609295  1
  S  S143  1  0.916215  0.042411  0.610475  1
  S  S144  1  -0.000067  0.166872  0.609284  1
