# 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  0.791671  0.377891  1
  W  W2  1  0.000027  0.750053  0.504432  1
  W  W3  1  0.083333  0.874990  0.504419  1
  W  W4  1  -0.000163  0.499979  0.500040  1
  W  W5  1  0.083333  0.624801  0.502001  1
  W  W6  1  0.166639  0.750053  0.504432  1
  W  W7  1  0.250265  0.875112  0.501926  1
  W  W8  1  0.000019  0.250026  0.499373  1
  W  W9  1  0.083333  0.375049  0.499539  1
  W  W10  1  0.166830  0.499979  0.500040  1
  W  W11  1  0.249859  0.625091  0.500541  1
  W  W12  1  0.333215  0.750062  0.500436  1
  W  W13  1  0.416842  0.874855  0.499799  1
  W  W14  1  -0.000014  -0.000140  0.500508  1
  W  W15  1  0.083333  0.124942  0.499590  1
  W  W16  1  0.166648  0.250026  0.499373  1
  W  W17  1  0.250039  0.375041  0.499501  1
  W  W18  1  0.333360  0.500086  0.499556  1
  W  W19  1  0.416623  0.625039  0.499502  1
  W  W20  1  0.499992  0.749897  0.499188  1
  W  W21  1  0.583333  0.874861  0.499243  1
  W  W22  1  0.166681  -0.000140  0.500508  1
  W  W23  1  0.249949  0.124988  0.499504  1
  W  W24  1  0.333303  0.250002  0.499493  1
  W  W25  1  0.416661  0.375069  0.499566  1
  W  W26  1  0.500005  0.500070  0.499396  1
  W  W27  1  0.583333  0.624981  0.499160  1
  W  W28  1  0.666674  0.749897  0.499188  1
  W  W29  1  0.749824  0.874855  0.499799  1
  W  W30  1  0.333341  0.000116  0.499959  1
  W  W31  1  0.416640  0.124998  0.499582  1
  W  W32  1  0.500003  0.250016  0.499704  1
  W  W33  1  0.583333  0.375054  0.499633  1
  W  W34  1  0.666661  0.500070  0.499396  1
  W  W35  1  0.750044  0.625039  0.499502  1
  W  W36  1  0.833452  0.750062  0.500436  1
  W  W37  1  0.916402  0.875112  0.501926  1
  W  W38  1  0.500007  -0.000096  0.499541  1
  W  W39  1  0.583333  0.124951  0.499652  1
  W  W40  1  0.666664  0.250016  0.499704  1
  W  W41  1  0.750006  0.375069  0.499565  1
  W  W42  1  0.833307  0.500086  0.499556  1
  W  W43  1  0.916808  0.625092  0.500541  1
  W  W44  1  0.666660  -0.000096  0.499541  1
  W  W45  1  0.750027  0.124997  0.499582  1
  W  W46  1  0.833364  0.250002  0.499493  1
  W  W47  1  0.916628  0.375041  0.499501  1
  W  W48  1  0.833325  0.000116  0.499959  1
  W  W49  1  0.916718  0.124988  0.499504  1
  S  S50  1  0.166443  0.915217  0.391004  1
  S  S51  1  0.083333  0.541932  0.390087  1
  S  S52  1  0.165335  0.667581  0.391047  1
  S  S53  1  0.248440  0.792235  0.390999  1
  S  S54  1  0.333100  0.916542  0.389916  1
  S  S55  1  0.083333  0.291751  0.388668  1
  S  S56  1  0.166690  0.416840  0.388908  1
  S  S57  1  0.249836  0.542027  0.389228  1
  S  S58  1  0.332945  0.666831  0.389337  1
  S  S59  1  0.416224  0.791579  0.388950  1
  S  S60  1  0.499897  0.916572  0.388682  1
  S  S61  1  0.083333  0.041303  0.389385  1
  S  S62  1  0.166624  0.166582  0.388715  1
  S  S63  1  0.250025  0.291713  0.388709  1
  S  S64  1  0.333349  0.416766  0.388802  1
  S  S65  1  0.416588  0.541742  0.388696  1
  S  S66  1  0.499864  0.666598  0.388435  1
  S  S67  1  0.583333  0.791568  0.388357  1
  S  S68  1  0.666770  0.916572  0.388682  1
  S  S69  1  0.249764  0.041367  0.389179  1
  S  S70  1  0.333310  0.166616  0.388782  1
  S  S71  1  0.416709  0.291688  0.388939  1
  S  S72  1  0.500004  0.416662  0.388838  1
  S  S73  1  0.583333  0.541624  0.388519  1
  S  S74  1  0.666803  0.666598  0.388436  1
  S  S75  1  0.750443  0.791579  0.388950  1
  S  S76  1  0.833567  0.916542  0.389916  1
  S  S77  1  0.416583  0.041600  0.388920  1
  S  S78  1  0.500014  0.166668  0.388981  1
  S  S79  1  0.583333  0.291676  0.389035  1
  S  S80  1  0.666662  0.416662  0.388838  1
  S  S81  1  0.750079  0.541742  0.388696  1
  S  S82  1  0.833722  0.666831  0.389337  1
  S  S83  1  0.918226  0.792235  0.390999  1
  S  S84  1  0.000224  0.915217  0.391004  1
  S  S85  1  0.583333  0.041617  0.388860  1
  S  S86  1  0.666653  0.166668  0.388981  1
  S  S87  1  0.749958  0.291688  0.388939  1
  S  S88  1  0.833318  0.416766  0.388802  1
  S  S89  1  0.916831  0.542028  0.389228  1
  S  S90  1  0.001332  0.667581  0.391047  1
  S  S91  1  0.750083  0.041600  0.388920  1
  S  S92  1  0.833356  0.166616  0.388782  1
  S  S93  1  0.916642  0.291713  0.388709  1
  S  S94  1  -0.000024  0.416840  0.388908  1
  S  S95  1  0.916903  0.041367  0.389179  1
  S  S96  1  0.000043  0.166582  0.388715  1
  S  S97  1  0.083333  0.791680  0.615932  1
  S  S98  1  0.167618  0.917354  0.613287  1
  S  S99  1  0.083333  0.540778  0.611304  1
  S  S100  1  0.166910  0.665667  0.613329  1
  S  S101  1  0.251212  0.792014  0.613278  1
  S  S102  1  0.334341  0.917060  0.611167  1
  S  S103  1  0.083333  0.291650  0.610132  1
  S  S104  1  0.166757  0.416469  0.610432  1
  S  S105  1  0.250288  0.541522  0.610742  1
  S  S106  1  0.333562  0.666594  0.610782  1
  S  S107  1  0.417092  0.791489  0.610493  1
  S  S108  1  0.500290  0.916550  0.610288  1
  S  S109  1  0.083333  0.041834  0.610797  1
  S  S110  1  0.166660  0.166739  0.610200  1
  S  S111  1  0.249963  0.291660  0.610157  1
  S  S112  1  0.333357  0.416711  0.610275  1
  S  S113  1  0.416763  0.541712  0.610244  1
  S  S114  1  0.500124  0.666639  0.610027  1
  S  S115  1  0.583333  0.791508  0.609929  1
  S  S116  1  0.666376  0.916550  0.610288  1
  S  S117  1  0.250068  0.041936  0.610668  1
  S  S118  1  0.333279  0.166694  0.610238  1
  S  S119  1  0.416597  0.291700  0.610287  1
  S  S120  1  0.499986  0.416787  0.610254  1
  S  S121  1  0.583333  0.541767  0.610066  1
  S  S122  1  0.666543  0.666638  0.610027  1
  S  S123  1  0.749575  0.791489  0.610493  1
  S  S124  1  0.832325  0.917060  0.611167  1
  S  S125  1  0.416861  0.041756  0.610437  1
  S  S126  1  0.499979  0.166640  0.610359  1
  S  S127  1  0.583333  0.291721  0.610391  1
  S  S128  1  0.666680  0.416786  0.610254  1
  S  S129  1  0.749904  0.541712  0.610244  1
  S  S130  1  0.833105  0.666594  0.610782  1
  S  S131  1  0.915455  0.792013  0.613278  1
  S  S132  1  -0.000951  0.917354  0.613287  1
  S  S133  1  0.583333  0.041559  0.610293  1
  S  S134  1  0.666688  0.166640  0.610359  1
  S  S135  1  0.750069  0.291700  0.610287  1
  S  S136  1  0.833310  0.416711  0.610275  1
  S  S137  1  0.916379  0.541522  0.610741  1
  S  S138  1  -0.000243  0.665667  0.613329  1
  S  S139  1  0.749806  0.041756  0.610437  1
  S  S140  1  0.833387  0.166694  0.610238  1
  S  S141  1  0.916704  0.291660  0.610157  1
  S  S142  1  -0.000090  0.416469  0.610432  1
  S  S143  1  0.916598  0.041936  0.610668  1
  S  S144  1  0.000007  0.166739  0.610200  1
