# 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  0.083309  0.785310  0.443314  1
  W  W2  1  -0.006945  0.750017  0.505612  1
  W  W3  1  0.083356  0.878110  0.503482  1
  W  W4  1  -0.000150  0.500246  0.498754  1
  W  W5  1  0.083328  0.624908  0.500685  1
  W  W6  1  0.173612  0.750040  0.505591  1
  W  W7  1  0.250402  0.874109  0.502626  1
  W  W8  1  0.000227  0.250074  0.497718  1
  W  W9  1  0.083332  0.375281  0.497907  1
  W  W10  1  0.166817  0.500247  0.498751  1
  W  W11  1  0.250631  0.624957  0.500598  1
  W  W12  1  0.334155  0.750053  0.501803  1
  W  W13  1  0.416937  0.874934  0.500786  1
  W  W14  1  -0.000206  -0.000298  0.499474  1
  W  W15  1  0.083334  0.125110  0.498179  1
  W  W16  1  0.166440  0.250073  0.497718  1
  W  W17  1  0.250168  0.375146  0.497956  1
  W  W18  1  0.333415  0.499935  0.498777  1
  W  W19  1  0.416995  0.624792  0.500025  1
  W  W20  1  0.500711  0.749927  0.500305  1
  W  W21  1  0.583333  0.875122  0.500262  1
  W  W22  1  0.166876  -0.000295  0.499475  1
  W  W23  1  0.250265  0.125103  0.498285  1
  W  W24  1  0.333239  0.250198  0.497897  1
  W  W25  1  0.416482  0.374899  0.498130  1
  W  W26  1  0.500335  0.499895  0.498865  1
  W  W27  1  0.583332  0.624898  0.499676  1
  W  W28  1  0.665954  0.749926  0.500308  1
  W  W29  1  0.749732  0.874933  0.500787  1
  W  W30  1  0.333300  0.000393  0.499719  1
  W  W31  1  0.416490  0.124927  0.498639  1
  W  W32  1  0.500221  0.249928  0.498193  1
  W  W33  1  0.583332  0.375053  0.498251  1
  W  W34  1  0.666331  0.499892  0.498867  1
  W  W35  1  0.749669  0.624790  0.500033  1
  W  W36  1  0.832509  0.750051  0.501814  1
  W  W37  1  0.916259  0.874106  0.502620  1
  W  W38  1  0.500256  -0.000057  0.499713  1
  W  W39  1  0.583333  0.125087  0.498775  1
  W  W40  1  0.666446  0.249925  0.498191  1
  W  W41  1  0.750185  0.374899  0.498130  1
  W  W42  1  0.833248  0.499931  0.498783  1
  W  W43  1  0.916033  0.624951  0.500607  1
  W  W44  1  0.666412  -0.000059  0.499712  1
  W  W45  1  0.750178  0.124926  0.498637  1
  W  W46  1  0.833426  0.250196  0.497896  1
  W  W47  1  0.916499  0.375143  0.497957  1
  W  W48  1  0.833369  0.000390  0.499715  1
  W  W49  1  0.916403  0.125099  0.498282  1
  S  S50  1  0.166595  0.914588  0.391242  1
  S  S51  1  0.083332  0.542605  0.388746  1
  S  S52  1  0.166852  0.668423  0.391634  1
  S  S53  1  0.250444  0.792005  0.390303  1
  S  S54  1  0.332863  0.916201  0.390595  1
  S  S55  1  0.083334  0.292001  0.387002  1
  S  S56  1  0.166742  0.417141  0.387538  1
  S  S57  1  0.250158  0.542355  0.388514  1
  S  S58  1  0.333877  0.667076  0.390030  1
  S  S59  1  0.417025  0.791595  0.390273  1
  S  S60  1  0.499800  0.916417  0.389464  1
  S  S61  1  0.083335  0.041237  0.388532  1
  S  S62  1  0.166846  0.166455  0.387430  1
  S  S63  1  0.249855  0.291806  0.387215  1
  S  S64  1  0.333392  0.416987  0.387508  1
  S  S65  1  0.416907  0.541847  0.388594  1
  S  S66  1  0.500049  0.666759  0.389236  1
  S  S67  1  0.583334  0.791902  0.389270  1
  S  S68  1  0.666867  0.916415  0.389465  1
  S  S69  1  0.250028  0.041237  0.388451  1
  S  S70  1  0.333494  0.166682  0.387542  1
  S  S71  1  0.416882  0.291587  0.387468  1
  S  S72  1  0.499909  0.416785  0.387809  1
  S  S73  1  0.583334  0.541952  0.388285  1
  S  S74  1  0.666619  0.666759  0.389241  1
  S  S75  1  0.749642  0.791593  0.390278  1
  S  S76  1  0.833803  0.916198  0.390590  1
  S  S77  1  0.416906  0.041185  0.388666  1
  S  S78  1  0.499890  0.166361  0.387927  1
  S  S79  1  0.583334  0.291761  0.387502  1
  S  S80  1  0.666757  0.416783  0.387809  1
  S  S81  1  0.749759  0.541848  0.388599  1
  S  S82  1  0.832790  0.667074  0.390041  1
  S  S83  1  0.916224  0.791992  0.390321  1
  S  S84  1  0.000086  0.914581  0.391256  1
  S  S85  1  0.583334  0.041460  0.388650  1
  S  S86  1  0.666776  0.166359  0.387926  1
  S  S87  1  0.749784  0.291587  0.387467  1
  S  S88  1  0.833275  0.416986  0.387510  1
  S  S89  1  0.916504  0.542350  0.388522  1
  S  S90  1  -0.000193  0.668415  0.391632  1
  S  S91  1  0.749762  0.041184  0.388664  1
  S  S92  1  0.833176  0.166680  0.387539  1
  S  S93  1  0.916812  0.291804  0.387215  1
  S  S94  1  -0.000077  0.417141  0.387539  1
  S  S95  1  0.916644  0.041232  0.388447  1
  S  S96  1  -0.000177  0.166455  0.387430  1
  S  S97  1  0.083338  0.791820  0.610166  1
  S  S98  1  0.167308  0.918001  0.613526  1
  S  S99  1  0.083335  0.541127  0.609778  1
  S  S100  1  0.167376  0.665144  0.613191  1
  S  S101  1  0.253901  0.792858  0.617101  1
  S  S102  1  0.334016  0.917562  0.611470  1
  S  S103  1  0.083333  0.291869  0.608440  1
  S  S104  1  0.166757  0.416560  0.608760  1
  S  S105  1  0.250318  0.541018  0.610024  1
  S  S106  1  0.334351  0.666219  0.611507  1
  S  S107  1  0.418095  0.791607  0.611638  1
  S  S108  1  0.500160  0.916917  0.611065  1
  S  S109  1  0.083334  0.042244  0.609456  1
  S  S110  1  0.166749  0.166874  0.608616  1
  S  S111  1  0.249736  0.291720  0.608405  1
  S  S112  1  0.333339  0.416454  0.609010  1
  S  S113  1  0.416934  0.541064  0.609848  1
  S  S114  1  0.500283  0.666353  0.610759  1
  S  S115  1  0.583331  0.791879  0.611309  1
  S  S116  1  0.666507  0.916916  0.611065  1
  S  S117  1  0.249869  0.042266  0.609774  1
  S  S118  1  0.333261  0.167112  0.608934  1
  S  S119  1  0.416702  0.291566  0.608622  1
  S  S120  1  0.499853  0.416338  0.608969  1
  S  S121  1  0.583331  0.541373  0.609963  1
  S  S122  1  0.666378  0.666352  0.610763  1
  S  S123  1  0.748567  0.791608  0.611642  1
  S  S124  1  0.832654  0.917561  0.611468  1
  S  S125  1  0.416874  0.042003  0.610003  1
  S  S126  1  0.499815  0.166769  0.609110  1
  S  S127  1  0.583334  0.291749  0.608869  1
  S  S128  1  0.666813  0.416335  0.608970  1
  S  S129  1  0.749728  0.541061  0.609855  1
  S  S130  1  0.832315  0.666215  0.611515  1
  S  S131  1  0.912764  0.792861  0.617104  1
  S  S132  1  -0.000629  0.917992  0.613507  1
  S  S133  1  0.583334  0.042148  0.610138  1
  S  S134  1  0.666853  0.166766  0.609109  1
  S  S135  1  0.749963  0.291565  0.608620  1
  S  S136  1  0.833328  0.416450  0.609012  1
  S  S137  1  0.916347  0.541014  0.610029  1
  S  S138  1  -0.000709  0.665130  0.613211  1
  S  S139  1  0.749795  0.042003  0.610000  1
  S  S140  1  0.833407  0.167111  0.608931  1
  S  S141  1  0.916929  0.291717  0.608404  1
  S  S142  1  -0.000091  0.416560  0.608761  1
  S  S143  1  0.916799  0.042262  0.609771  1
  S  S144  1  -0.000083  0.166874  0.608614  1
