# generated using pymatgen
data_OsW48S95
_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   OsW48S95
_chemical_formula_sum   'Os1 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
  Os  Os1  1  0.083333  0.791371  0.379231  1
  W  W2  1  0.000441  0.750336  0.504285  1
  W  W3  1  0.083333  0.874317  0.504117  1
  W  W4  1  -0.000229  0.499938  0.500063  1
  W  W5  1  0.083333  0.624351  0.501948  1
  W  W6  1  0.166226  0.750336  0.504285  1
  W  W7  1  0.250680  0.875340  0.501907  1
  W  W8  1  0.000051  0.249946  0.499363  1
  W  W9  1  0.083333  0.374946  0.499634  1
  W  W10  1  0.166896  0.499938  0.500063  1
  W  W11  1  0.249748  0.625123  0.500534  1
  W  W12  1  0.333206  0.750202  0.500430  1
  W  W13  1  0.416876  0.874863  0.499914  1
  W  W14  1  -0.000108  -0.000238  0.500514  1
  W  W15  1  0.083333  0.124691  0.499463  1
  W  W16  1  0.166616  0.249946  0.499363  1
  W  W17  1  0.250022  0.374987  0.499535  1
  W  W18  1  0.333365  0.500185  0.499467  1
  W  W19  1  0.416374  0.625241  0.499379  1
  W  W20  1  0.499965  0.749955  0.499123  1
  W  W21  1  0.583333  0.874797  0.499368  1
  W  W22  1  0.166775  -0.000239  0.500514  1
  W  W23  1  0.249849  0.124980  0.499443  1
  W  W24  1  0.333235  0.250024  0.499505  1
  W  W25  1  0.416571  0.375144  0.499570  1
  W  W26  1  0.499987  0.500169  0.499327  1
  W  W27  1  0.583333  0.625143  0.499035  1
  W  W28  1  0.666702  0.749954  0.499124  1
  W  W29  1  0.749791  0.874863  0.499914  1
  W  W30  1  0.333297  0.000140  0.500078  1
  W  W31  1  0.416602  0.125094  0.499685  1
  W  W32  1  0.499937  0.250094  0.499763  1
  W  W33  1  0.583333  0.375193  0.499657  1
  W  W34  1  0.666680  0.500169  0.499328  1
  W  W35  1  0.750293  0.625240  0.499379  1
  W  W36  1  0.833461  0.750202  0.500430  1
  W  W37  1  0.915987  0.875340  0.501907  1
  W  W38  1  0.499925  -0.000028  0.499775  1
  W  W39  1  0.583333  0.124988  0.499813  1
  W  W40  1  0.666730  0.250094  0.499763  1
  W  W41  1  0.750095  0.375144  0.499570  1
  W  W42  1  0.833301  0.500185  0.499467  1
  W  W43  1  0.916919  0.625123  0.500534  1
  W  W44  1  0.666741  -0.000028  0.499775  1
  W  W45  1  0.750065  0.125094  0.499685  1
  W  W46  1  0.833431  0.250024  0.499506  1
  W  W47  1  0.916645  0.374987  0.499535  1
  W  W48  1  0.833370  0.000140  0.500078  1
  W  W49  1  0.916818  0.124980  0.499442  1
  S  S50  1  0.166787  0.915184  0.390925  1
  S  S51  1  0.083333  0.541612  0.390117  1
  S  S52  1  0.165227  0.667357  0.390975  1
  S  S53  1  0.248711  0.792440  0.390921  1
  S  S54  1  0.333371  0.916647  0.389937  1
  S  S55  1  0.083333  0.291639  0.388795  1
  S  S56  1  0.166681  0.416727  0.389079  1
  S  S57  1  0.249746  0.542058  0.389243  1
  S  S58  1  0.332750  0.667009  0.389100  1
  S  S59  1  0.416184  0.791665  0.388934  1
  S  S60  1  0.499908  0.916558  0.389017  1
  S  S61  1  0.083333  0.040994  0.389204  1
  S  S62  1  0.166550  0.166440  0.388740  1
  S  S63  1  0.249955  0.291639  0.388811  1
  S  S64  1  0.333283  0.416777  0.388891  1
  S  S65  1  0.416479  0.541889  0.388747  1
  S  S66  1  0.499753  0.666686  0.388477  1
  S  S67  1  0.583333  0.791572  0.388434  1
  S  S68  1  0.666759  0.916558  0.389017  1
  S  S69  1  0.249780  0.041255  0.389195  1
  S  S70  1  0.333211  0.166589  0.388897  1
  S  S71  1  0.416647  0.291681  0.389037  1
  S  S72  1  0.499967  0.416707  0.388985  1
  S  S73  1  0.583333  0.541731  0.388655  1
  S  S74  1  0.666914  0.666686  0.388477  1
  S  S75  1  0.750483  0.791665  0.388934  1
  S  S76  1  0.833296  0.916647  0.389937  1
  S  S77  1  0.416525  0.041619  0.389191  1
  S  S78  1  0.499970  0.166663  0.389217  1
  S  S79  1  0.583333  0.291679  0.389219  1
  S  S80  1  0.666700  0.416708  0.388985  1
  S  S81  1  0.750188  0.541889  0.388747  1
  S  S82  1  0.833917  0.667009  0.389100  1
  S  S83  1  0.917956  0.792440  0.390921  1
  S  S84  1  -0.000120  0.915184  0.390925  1
  S  S85  1  0.583333  0.041581  0.389285  1
  S  S86  1  0.666697  0.166664  0.389217  1
  S  S87  1  0.750020  0.291681  0.389038  1
  S  S88  1  0.833384  0.416777  0.388891  1
  S  S89  1  0.916920  0.542058  0.389243  1
  S  S90  1  0.001440  0.667357  0.390975  1
  S  S91  1  0.750141  0.041619  0.389191  1
  S  S92  1  0.833456  0.166589  0.388896  1
  S  S93  1  0.916711  0.291639  0.388811  1
  S  S94  1  -0.000015  0.416727  0.389079  1
  S  S95  1  0.916886  0.041255  0.389195  1
  S  S96  1  0.000116  0.166440  0.388740  1
  S  S97  1  0.083333  0.791607  0.616709  1
  S  S98  1  0.167643  0.917145  0.612694  1
  S  S99  1  0.083334  0.540437  0.611343  1
  S  S100  1  0.166771  0.665630  0.612776  1
  S  S101  1  0.251181  0.792107  0.612866  1
  S  S102  1  0.334555  0.917149  0.611411  1
  S  S103  1  0.083333  0.291479  0.610072  1
  S  S104  1  0.166780  0.416367  0.610398  1
  S  S105  1  0.250298  0.541507  0.610694  1
  S  S106  1  0.333382  0.666740  0.610720  1
  S  S107  1  0.417107  0.791466  0.610537  1
  S  S108  1  0.500293  0.916458  0.610318  1
  S  S109  1  0.083333  0.041579  0.610677  1
  S  S110  1  0.166547  0.166548  0.610056  1
  S  S111  1  0.249873  0.291577  0.610102  1
  S  S112  1  0.333304  0.416772  0.610185  1
  S  S113  1  0.416645  0.541887  0.610009  1
  S  S114  1  0.500004  0.666698  0.609775  1
  S  S115  1  0.583333  0.791375  0.609864  1
  S  S116  1  0.666373  0.916458  0.610318  1
  S  S117  1  0.250043  0.041931  0.610678  1
  S  S118  1  0.333090  0.166683  0.610177  1
  S  S119  1  0.416493  0.291732  0.610236  1
  S  S120  1  0.499924  0.416866  0.610108  1
  S  S121  1  0.583333  0.541895  0.609771  1
  S  S122  1  0.666663  0.666698  0.609775  1
  S  S123  1  0.749559  0.791466  0.610537  1
  S  S124  1  0.832111  0.917149  0.611411  1
  S  S125  1  0.416748  0.041821  0.610482  1
  S  S126  1  0.499888  0.166699  0.610298  1
  S  S127  1  0.583334  0.291760  0.610302  1
  S  S128  1  0.666743  0.416866  0.610108  1
  S  S129  1  0.750022  0.541887  0.610009  1
  S  S130  1  0.833284  0.666740  0.610720  1
  S  S131  1  0.915486  0.792107  0.612866  1
  S  S132  1  -0.000977  0.917145  0.612694  1
  S  S133  1  0.583333  0.041567  0.610281  1
  S  S134  1  0.666779  0.166699  0.610298  1
  S  S135  1  0.750174  0.291732  0.610236  1
  S  S136  1  0.833363  0.416772  0.610185  1
  S  S137  1  0.916369  0.541507  0.610694  1
  S  S138  1  -0.000105  0.665630  0.612777  1
  S  S139  1  0.749918  0.041822  0.610482  1
  S  S140  1  0.833576  0.166683  0.610177  1
  S  S141  1  0.916794  0.291577  0.610102  1
  S  S142  1  -0.000114  0.416367  0.610398  1
  S  S143  1  0.916624  0.041931  0.610678  1
  S  S144  1  0.000119  0.166548  0.610056  1
