# generated using pymatgen
data_OsW47S96
_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   OsW47S96
_chemical_formula_sum   'Os1 W47 S96'
_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  0.000000  0.736360  0.500000  1
  W  W2  1  0.081913  0.880658  0.500000  1
  W  W3  1  -0.000000  0.498295  0.500000  1
  W  W4  1  0.082030  0.622650  0.500000  1
  W  W5  1  0.164353  0.750316  0.500000  1
  W  W6  1  0.248651  0.875241  0.500000  1
  W  W7  1  -0.000000  0.250205  0.500000  1
  W  W8  1  0.083551  0.374522  0.500000  1
  W  W9  1  0.167192  0.499107  0.500000  1
  W  W10  1  0.249095  0.624869  0.500000  1
  W  W11  1  0.331971  0.750161  0.500000  1
  W  W12  1  0.416392  0.874952  0.500000  1
  W  W13  1  -0.000000  0.002655  0.500000  1
  W  W14  1  0.083716  0.126091  0.500000  1
  W  W15  1  0.167110  0.250230  0.500000  1
  W  W16  1  0.250417  0.374836  0.500000  1
  W  W17  1  0.333321  0.500183  0.500000  1
  W  W18  1  0.416430  0.625277  0.500000  1
  W  W19  1  0.500000  0.750056  0.500000  1
  W  W20  1  0.583608  0.874952  0.500000  1
  W  W21  1  0.167092  0.000392  0.500000  1
  W  W22  1  0.250375  0.125330  0.500000  1
  W  W23  1  0.333650  0.250109  0.500000  1
  W  W24  1  0.416816  0.375210  0.500000  1
  W  W25  1  0.500000  0.500283  0.500000  1
  W  W26  1  0.583570  0.625277  0.500000  1
  W  W27  1  0.668029  0.750161  0.500000  1
  W  W28  1  0.751349  0.875241  0.500000  1
  W  W29  1  0.333215  0.000178  0.500000  1
  W  W30  1  0.416825  0.125048  0.500000  1
  W  W31  1  0.500000  0.250118  0.500000  1
  W  W32  1  0.583184  0.375210  0.500000  1
  W  W33  1  0.666679  0.500183  0.500000  1
  W  W34  1  0.750905  0.624869  0.500000  1
  W  W35  1  0.835647  0.750316  0.500000  1
  W  W36  1  0.918087  0.880658  0.500000  1
  W  W37  1  0.500000  -0.000114  0.500000  1
  W  W38  1  0.583175  0.125048  0.500000  1
  W  W39  1  0.666350  0.250109  0.500001  1
  W  W40  1  0.749583  0.374836  0.500001  1
  W  W41  1  0.832808  0.499107  0.500000  1
  W  W42  1  0.917970  0.622650  0.500000  1
  W  W43  1  0.666785  0.000178  0.500000  1
  W  W44  1  0.749625  0.125330  0.500000  1
  W  W45  1  0.832890  0.250230  0.500001  1
  W  W46  1  0.916449  0.374522  0.500000  1
  W  W47  1  0.832908  0.000392  0.500000  1
  W  W48  1  0.916284  0.126091  0.500000  1
  S  S49  1  0.076593  0.791861  0.395214  1
  S  S50  1  0.166568  0.917519  0.387747  1
  S  S51  1  0.083641  0.539586  0.389172  1
  S  S52  1  0.165389  0.666725  0.389561  1
  S  S53  1  0.247728  0.791738  0.389461  1
  S  S54  1  0.332784  0.916580  0.389622  1
  S  S55  1  0.083567  0.291489  0.389162  1
  S  S56  1  0.167052  0.416005  0.389138  1
  S  S57  1  0.249919  0.541630  0.389140  1
  S  S58  1  0.332553  0.666826  0.389542  1
  S  S59  1  0.416001  0.791581  0.389530  1
  S  S60  1  0.500000  0.916490  0.389350  1
  S  S61  1  0.084055  0.043252  0.389192  1
  S  S62  1  0.167199  0.167156  0.389142  1
  S  S63  1  0.250445  0.291686  0.389124  1
  S  S64  1  0.333545  0.416823  0.389241  1
  S  S65  1  0.416617  0.541973  0.389296  1
  S  S66  1  0.500000  0.666867  0.389322  1
  S  S67  1  0.583999  0.791581  0.389530  1
  S  S68  1  0.667216  0.916580  0.389621  1
  S  S69  1  0.250206  0.042048  0.389173  1
  S  S70  1  0.333680  0.166806  0.389197  1
  S  S71  1  0.416825  0.291853  0.389212  1
  S  S72  1  0.500000  0.416960  0.389209  1
  S  S73  1  0.583383  0.541973  0.389296  1
  S  S74  1  0.667447  0.666826  0.389541  1
  S  S75  1  0.752272  0.791738  0.389460  1
  S  S76  1  0.833432  0.917519  0.387747  1
  S  S77  1  0.416700  0.041615  0.389289  1
  S  S78  1  0.500000  0.166749  0.389199  1
  S  S79  1  0.583175  0.291853  0.389212  1
  S  S80  1  0.666454  0.416823  0.389240  1
  S  S81  1  0.750081  0.541630  0.389140  1
  S  S82  1  0.834611  0.666725  0.389561  1
  S  S83  1  0.923407  0.791861  0.395214  1
  S  S84  1  0.000000  0.920889  0.388266  1
  S  S85  1  0.583300  0.041615  0.389289  1
  S  S86  1  0.666320  0.166806  0.389196  1
  S  S87  1  0.749555  0.291686  0.389124  1
  S  S88  1  0.832948  0.416005  0.389138  1
  S  S89  1  0.916359  0.539586  0.389172  1
  S  S90  1  0.000000  0.660524  0.384991  1
  S  S91  1  0.749794  0.042048  0.389173  1
  S  S92  1  0.832801  0.167156  0.389141  1
  S  S93  1  0.916433  0.291489  0.389161  1
  S  S94  1  0.000000  0.415516  0.388958  1
  S  S95  1  0.915945  0.043252  0.389191  1
  S  S96  1  0.000000  0.167227  0.389171  1
  S  S97  1  0.076593  0.791861  0.604786  1
  S  S98  1  0.166568  0.917519  0.612253  1
  S  S99  1  0.083641  0.539586  0.610828  1
  S  S100  1  0.165389  0.666725  0.610439  1
  S  S101  1  0.247728  0.791738  0.610540  1
  S  S102  1  0.332784  0.916580  0.610379  1
  S  S103  1  0.083567  0.291489  0.610838  1
  S  S104  1  0.167052  0.416005  0.610862  1
  S  S105  1  0.249919  0.541630  0.610860  1
  S  S106  1  0.332553  0.666826  0.610459  1
  S  S107  1  0.416001  0.791581  0.610470  1
  S  S108  1  0.500000  0.916490  0.610650  1
  S  S109  1  0.084055  0.043252  0.610808  1
  S  S110  1  0.167199  0.167156  0.610858  1
  S  S111  1  0.250445  0.291686  0.610876  1
  S  S112  1  0.333545  0.416823  0.610759  1
  S  S113  1  0.416617  0.541973  0.610704  1
  S  S114  1  0.500000  0.666867  0.610678  1
  S  S115  1  0.583999  0.791581  0.610470  1
  S  S116  1  0.667217  0.916580  0.610378  1
  S  S117  1  0.250206  0.042048  0.610827  1
  S  S118  1  0.333680  0.166806  0.610803  1
  S  S119  1  0.416825  0.291853  0.610788  1
  S  S120  1  0.500000  0.416960  0.610791  1
  S  S121  1  0.583383  0.541973  0.610704  1
  S  S122  1  0.667447  0.666826  0.610458  1
  S  S123  1  0.752272  0.791738  0.610540  1
  S  S124  1  0.833432  0.917519  0.612253  1
  S  S125  1  0.416700  0.041615  0.610711  1
  S  S126  1  0.500000  0.166749  0.610801  1
  S  S127  1  0.583175  0.291853  0.610788  1
  S  S128  1  0.666455  0.416823  0.610759  1
  S  S129  1  0.750081  0.541630  0.610860  1
  S  S130  1  0.834611  0.666725  0.610439  1
  S  S131  1  0.923407  0.791861  0.604786  1
  S  S132  1  -0.000000  0.920889  0.611735  1
  S  S133  1  0.583300  0.041615  0.610711  1
  S  S134  1  0.666320  0.166806  0.610803  1
  S  S135  1  0.749555  0.291686  0.610876  1
  S  S136  1  0.832948  0.416005  0.610862  1
  S  S137  1  0.916359  0.539586  0.610828  1
  S  S138  1  -0.000000  0.660524  0.615009  1
  S  S139  1  0.749794  0.042048  0.610827  1
  S  S140  1  0.832801  0.167156  0.610858  1
  S  S141  1  0.916433  0.291489  0.610838  1
  S  S142  1  -0.000000  0.415516  0.611042  1
  S  S143  1  0.915945  0.043252  0.610808  1
  S  S144  1  -0.000000  0.167227  0.610830  1
