# 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  0.791683  0.378152  1
  W  W2  1  -0.000129  0.749972  0.504322  1
  W  W3  1  0.083333  0.875159  0.504301  1
  W  W4  1  -0.000163  0.499926  0.499913  1
  W  W5  1  0.083333  0.624760  0.501806  1
  W  W6  1  0.166796  0.749972  0.504322  1
  W  W7  1  0.250289  0.875146  0.501793  1
  W  W8  1  0.000017  0.250105  0.499472  1
  W  W9  1  0.083333  0.375051  0.499613  1
  W  W10  1  0.166829  0.499926  0.499913  1
  W  W11  1  0.249944  0.625017  0.500389  1
  W  W12  1  0.333299  0.750003  0.500328  1
  W  W13  1  0.416882  0.874863  0.499732  1
  W  W14  1  -0.000025  -0.000001  0.500382  1
  W  W15  1  0.083333  0.125111  0.499554  1
  W  W16  1  0.166650  0.250105  0.499472  1
  W  W17  1  0.250028  0.375022  0.499588  1
  W  W18  1  0.333399  0.499976  0.499534  1
  W  W19  1  0.416698  0.624917  0.499484  1
  W  W20  1  0.500032  0.749828  0.499190  1
  W  W21  1  0.583333  0.874857  0.499266  1
  W  W22  1  0.166691  -0.000001  0.500382  1
  W  W23  1  0.249990  0.125117  0.499487  1
  W  W24  1  0.333330  0.250073  0.499621  1
  W  W25  1  0.416685  0.375014  0.499717  1
  W  W26  1  0.500028  0.499959  0.499514  1
  W  W27  1  0.583333  0.624855  0.499206  1
  W  W28  1  0.666634  0.749828  0.499190  1
  W  W29  1  0.749784  0.874863  0.499732  1
  W  W30  1  0.333391  0.000168  0.499876  1
  W  W31  1  0.416681  0.125064  0.499649  1
  W  W32  1  0.499999  0.250031  0.499849  1
  W  W33  1  0.583333  0.375018  0.499834  1
  W  W34  1  0.666638  0.499959  0.499514  1
  W  W35  1  0.749968  0.624917  0.499484  1
  W  W36  1  0.833367  0.750004  0.500328  1
  W  W37  1  0.916378  0.875146  0.501793  1
  W  W38  1  0.500031  -0.000052  0.499575  1
  W  W39  1  0.583333  0.124997  0.499764  1
  W  W40  1  0.666668  0.250031  0.499849  1
  W  W41  1  0.749982  0.375014  0.499717  1
  W  W42  1  0.833268  0.499976  0.499534  1
  W  W43  1  0.916722  0.625017  0.500389  1
  W  W44  1  0.666635  -0.000052  0.499575  1
  W  W45  1  0.749985  0.125064  0.499649  1
  W  W46  1  0.833337  0.250073  0.499621  1
  W  W47  1  0.916639  0.375022  0.499588  1
  W  W48  1  0.833276  0.000168  0.499876  1
  W  W49  1  0.916677  0.125117  0.499487  1
  S  S50  1  0.166464  0.915332  0.390935  1
  S  S51  1  0.083333  0.541852  0.389874  1
  S  S52  1  0.165402  0.667542  0.390948  1
  S  S53  1  0.248510  0.792214  0.390950  1
  S  S54  1  0.333167  0.916588  0.389813  1
  S  S55  1  0.083333  0.291803  0.388691  1
  S  S56  1  0.166688  0.416735  0.388884  1
  S  S57  1  0.249919  0.541900  0.389136  1
  S  S58  1  0.333103  0.666735  0.389254  1
  S  S59  1  0.416312  0.791550  0.388934  1
  S  S60  1  0.499956  0.916632  0.388676  1
  S  S61  1  0.083333  0.041519  0.389289  1
  S  S62  1  0.166657  0.166754  0.388696  1
  S  S63  1  0.250047  0.291729  0.388752  1
  S  S64  1  0.333387  0.416621  0.388823  1
  S  S65  1  0.416681  0.541583  0.388700  1
  S  S66  1  0.499939  0.666496  0.388449  1
  S  S67  1  0.583333  0.791548  0.388379  1
  S  S68  1  0.666710  0.916632  0.388676  1
  S  S69  1  0.249833  0.041518  0.389129  1
  S  S70  1  0.333393  0.166756  0.388806  1
  S  S71  1  0.416747  0.291691  0.388980  1
  S  S72  1  0.500038  0.416561  0.388934  1
  S  S73  1  0.583333  0.541471  0.388561  1
  S  S74  1  0.666727  0.666496  0.388449  1
  S  S75  1  0.750355  0.791550  0.388934  1
  S  S76  1  0.833500  0.916588  0.389813  1
  S  S77  1  0.416665  0.041712  0.388911  1
  S  S78  1  0.500055  0.166741  0.389011  1
  S  S79  1  0.583333  0.291682  0.389137  1
  S  S80  1  0.666628  0.416561  0.388934  1
  S  S81  1  0.749986  0.541583  0.388700  1
  S  S82  1  0.833564  0.666735  0.389254  1
  S  S83  1  0.918156  0.792214  0.390950  1
  S  S84  1  0.000203  0.915332  0.390935  1
  S  S85  1  0.583333  0.041704  0.388878  1
  S  S86  1  0.666611  0.166741  0.389011  1
  S  S87  1  0.749920  0.291691  0.388980  1
  S  S88  1  0.833280  0.416621  0.388823  1
  S  S89  1  0.916748  0.541900  0.389136  1
  S  S90  1  0.001265  0.667542  0.390948  1
  S  S91  1  0.750002  0.041712  0.388911  1
  S  S92  1  0.833274  0.166756  0.388806  1
  S  S93  1  0.916619  0.291729  0.388752  1
  S  S94  1  -0.000021  0.416735  0.388884  1
  S  S95  1  0.916834  0.041518  0.389129  1
  S  S96  1  0.000010  0.166754  0.388696  1
  S  S97  1  0.083333  0.791709  0.615597  1
  S  S98  1  0.167652  0.917464  0.613159  1
  S  S99  1  0.083333  0.540743  0.611121  1
  S  S100  1  0.166950  0.665582  0.613165  1
  S  S101  1  0.251282  0.792021  0.613164  1
  S  S102  1  0.334369  0.917093  0.611038  1
  S  S103  1  0.083333  0.291690  0.610294  1
  S  S104  1  0.166744  0.416495  0.610493  1
  S  S105  1  0.250306  0.541458  0.610609  1
  S  S106  1  0.333630  0.666519  0.610698  1
  S  S107  1  0.417138  0.791465  0.610404  1
  S  S108  1  0.500290  0.916567  0.610281  1
  S  S109  1  0.083333  0.041982  0.610710  1
  S  S110  1  0.166670  0.166823  0.610241  1
  S  S111  1  0.249957  0.291690  0.610331  1
  S  S112  1  0.333341  0.416663  0.610391  1
  S  S113  1  0.416761  0.541613  0.610287  1
  S  S114  1  0.500150  0.666543  0.610034  1
  S  S115  1  0.583333  0.791466  0.609919  1
  S  S116  1  0.666377  0.916567  0.610281  1
  S  S117  1  0.250105  0.042035  0.610559  1
  S  S118  1  0.333303  0.166757  0.610337  1
  S  S119  1  0.416610  0.291701  0.610547  1
  S  S120  1  0.499978  0.416729  0.610516  1
  S  S121  1  0.583333  0.541666  0.610213  1
  S  S122  1  0.666516  0.666543  0.610034  1
  S  S123  1  0.749529  0.791465  0.610404  1
  S  S124  1  0.832298  0.917093  0.611038  1
  S  S125  1  0.416862  0.041793  0.610455  1
  S  S126  1  0.499993  0.166659  0.610548  1
  S  S127  1  0.583333  0.291693  0.610660  1
  S  S128  1  0.666689  0.416729  0.610516  1
  S  S129  1  0.749906  0.541613  0.610287  1
  S  S130  1  0.833037  0.666519  0.610698  1
  S  S131  1  0.915385  0.792021  0.613164  1
  S  S132  1  -0.000986  0.917464  0.613159  1
  S  S133  1  0.583333  0.041591  0.610397  1
  S  S134  1  0.666674  0.166659  0.610548  1
  S  S135  1  0.750057  0.291701  0.610547  1
  S  S136  1  0.833326  0.416663  0.610391  1
  S  S137  1  0.916361  0.541458  0.610609  1
  S  S138  1  -0.000284  0.665583  0.613165  1
  S  S139  1  0.749805  0.041793  0.610455  1
  S  S140  1  0.833364  0.166757  0.610337  1
  S  S141  1  0.916710  0.291690  0.610331  1
  S  S142  1  -0.000077  0.416495  0.610493  1
  S  S143  1  0.916562  0.042035  0.610559  1
  S  S144  1  -0.000003  0.166823  0.610241  1
