# 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  0.791666  0.377010  1
  W  W2  1  0.000213  0.750152  0.504012  1
  W  W3  1  0.083333  0.874794  0.503999  1
  W  W4  1  -0.000109  0.500023  0.499931  1
  W  W5  1  0.083333  0.624816  0.501605  1
  W  W6  1  0.166454  0.750152  0.504012  1
  W  W7  1  0.250255  0.875095  0.501611  1
  W  W8  1  0.000069  0.249940  0.499543  1
  W  W9  1  0.083333  0.375012  0.499761  1
  W  W10  1  0.166775  0.500023  0.499930  1
  W  W11  1  0.249797  0.625199  0.500295  1
  W  W12  1  0.333122  0.750090  0.500264  1
  W  W13  1  0.416813  0.874842  0.499822  1
  W  W14  1  0.000038  -0.000267  0.500261  1
  W  W15  1  0.083333  0.124777  0.499498  1
  W  W16  1  0.166598  0.249941  0.499543  1
  W  W17  1  0.249944  0.375039  0.499678  1
  W  W18  1  0.333284  0.500176  0.499548  1
  W  W19  1  0.416535  0.625171  0.499498  1
  W  W20  1  0.499994  0.749957  0.499291  1
  W  W21  1  0.583333  0.874839  0.499459  1
  W  W22  1  0.166628  -0.000267  0.500261  1
  W  W23  1  0.249889  0.124886  0.499500  1
  W  W24  1  0.333219  0.249968  0.499677  1
  W  W25  1  0.416571  0.375144  0.499764  1
  W  W26  1  0.499984  0.500222  0.499617  1
  W  W27  1  0.583333  0.625117  0.499345  1
  W  W28  1  0.666672  0.749957  0.499291  1
  W  W29  1  0.749853  0.874842  0.499822  1
  W  W30  1  0.333298  0.000005  0.499902  1
  W  W31  1  0.416594  0.124915  0.499732  1
  W  W32  1  0.499960  0.250008  0.499895  1
  W  W33  1  0.583333  0.375178  0.499897  1
  W  W34  1  0.666683  0.500222  0.499617  1
  W  W35  1  0.750131  0.625171  0.499499  1
  W  W36  1  0.833544  0.750091  0.500264  1
  W  W37  1  0.916412  0.875095  0.501611  1
  W  W38  1  0.499994  -0.000164  0.499740  1
  W  W39  1  0.583333  0.124868  0.499846  1
  W  W40  1  0.666708  0.250008  0.499896  1
  W  W41  1  0.750095  0.375143  0.499764  1
  W  W42  1  0.833383  0.500176  0.499548  1
  W  W43  1  0.916869  0.625199  0.500295  1
  W  W44  1  0.666673  -0.000164  0.499741  1
  W  W45  1  0.750073  0.124915  0.499732  1
  W  W46  1  0.833447  0.249968  0.499677  1
  W  W47  1  0.916723  0.375039  0.499678  1
  W  W48  1  0.833369  0.000005  0.499902  1
  W  W49  1  0.916778  0.124886  0.499500  1
  S  S50  1  0.166465  0.915141  0.390602  1
  S  S51  1  0.083333  0.541868  0.389788  1
  S  S52  1  0.165292  0.667612  0.390638  1
  S  S53  1  0.248444  0.792254  0.390644  1
  S  S54  1  0.333203  0.916510  0.389732  1
  S  S55  1  0.083334  0.291708  0.388897  1
  S  S56  1  0.166615  0.416776  0.389031  1
  S  S57  1  0.249798  0.542058  0.389102  1
  S  S58  1  0.332935  0.666895  0.389105  1
  S  S59  1  0.416256  0.791593  0.388934  1
  S  S60  1  0.499947  0.916541  0.388825  1
  S  S61  1  0.083333  0.041204  0.389096  1
  S  S62  1  0.166602  0.166534  0.388746  1
  S  S63  1  0.249924  0.291683  0.388945  1
  S  S64  1  0.333237  0.416768  0.388981  1
  S  S65  1  0.416573  0.541840  0.388786  1
  S  S66  1  0.499890  0.666701  0.388518  1
  S  S67  1  0.583333  0.791638  0.388481  1
  S  S68  1  0.666720  0.916541  0.388825  1
  S  S69  1  0.249772  0.041289  0.389061  1
  S  S70  1  0.333295  0.166576  0.388959  1
  S  S71  1  0.416632  0.291711  0.389207  1
  S  S72  1  0.499969  0.416799  0.389155  1
  S  S73  1  0.583333  0.541775  0.388775  1
  S  S74  1  0.666777  0.666701  0.388518  1
  S  S75  1  0.750411  0.791593  0.388934  1
  S  S76  1  0.833464  0.916510  0.389732  1
  S  S77  1  0.416612  0.041510  0.389033  1
  S  S78  1  0.499995  0.166604  0.389219  1
  S  S79  1  0.583334  0.291748  0.389381  1
  S  S80  1  0.666698  0.416799  0.389155  1
  S  S81  1  0.750093  0.541840  0.388785  1
  S  S82  1  0.833731  0.666895  0.389106  1
  S  S83  1  0.918222  0.792254  0.390644  1
  S  S84  1  0.000202  0.915141  0.390602  1
  S  S85  1  0.583333  0.041525  0.389090  1
  S  S86  1  0.666672  0.166604  0.389220  1
  S  S87  1  0.750035  0.291711  0.389207  1
  S  S88  1  0.833430  0.416767  0.388981  1
  S  S89  1  0.916869  0.542058  0.389101  1
  S  S90  1  0.001375  0.667612  0.390638  1
  S  S91  1  0.750055  0.041511  0.389033  1
  S  S92  1  0.833372  0.166576  0.388959  1
  S  S93  1  0.916743  0.291682  0.388945  1
  S  S94  1  0.000051  0.416776  0.389031  1
  S  S95  1  0.916895  0.041289  0.389061  1
  S  S96  1  0.000064  0.166534  0.388746  1
  S  S97  1  0.083333  0.791695  0.615741  1
  S  S98  1  0.167534  0.917197  0.612912  1
  S  S99  1  0.083333  0.540904  0.611157  1
  S  S100  1  0.166779  0.665791  0.612906  1
  S  S101  1  0.251019  0.792032  0.612916  1
  S  S102  1  0.334216  0.916961  0.611127  1
  S  S103  1  0.083333  0.291566  0.610328  1
  S  S104  1  0.166698  0.416590  0.610553  1
  S  S105  1  0.250157  0.541708  0.610596  1
  S  S106  1  0.333372  0.666714  0.610697  1
  S  S107  1  0.416930  0.791476  0.610461  1
  S  S108  1  0.500215  0.916472  0.610483  1
  S  S109  1  0.083333  0.041615  0.610679  1
  S  S110  1  0.166584  0.166537  0.610227  1
  S  S111  1  0.249857  0.291631  0.610310  1
  S  S112  1  0.333212  0.416836  0.610348  1
  S  S113  1  0.416588  0.541885  0.610280  1
  S  S114  1  0.500012  0.666747  0.610148  1
  S  S115  1  0.583333  0.791514  0.610137  1
  S  S116  1  0.666452  0.916472  0.610483  1
  S  S117  1  0.249936  0.041748  0.610552  1
  S  S118  1  0.333168  0.166577  0.610310  1
  S  S119  1  0.416503  0.291724  0.610372  1
  S  S120  1  0.499899  0.416926  0.610405  1
  S  S121  1  0.583333  0.541935  0.610285  1
  S  S122  1  0.666655  0.666748  0.610148  1
  S  S123  1  0.749736  0.791476  0.610462  1
  S  S124  1  0.832451  0.916961  0.611127  1
  S  S125  1  0.416732  0.041606  0.610532  1
  S  S126  1  0.499931  0.166565  0.610444  1
  S  S127  1  0.583333  0.291754  0.610479  1
  S  S128  1  0.666768  0.416927  0.610405  1
  S  S129  1  0.750079  0.541885  0.610280  1
  S  S130  1  0.833294  0.666714  0.610697  1
  S  S131  1  0.915648  0.792032  0.612916  1
  S  S132  1  -0.000867  0.917197  0.612912  1
  S  S133  1  0.583333  0.041474  0.610495  1
  S  S134  1  0.666735  0.166565  0.610444  1
  S  S135  1  0.750164  0.291725  0.610373  1
  S  S136  1  0.833455  0.416836  0.610348  1
  S  S137  1  0.916510  0.541708  0.610596  1
  S  S138  1  -0.000113  0.665791  0.612906  1
  S  S139  1  0.749935  0.041606  0.610532  1
  S  S140  1  0.833499  0.166577  0.610310  1
  S  S141  1  0.916810  0.291632  0.610310  1
  S  S142  1  -0.000032  0.416590  0.610554  1
  S  S143  1  0.916731  0.041748  0.610552  1
  S  S144  1  0.000083  0.166537  0.610228  1
