# 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  0.000030  0.736681  0.499999  1
  W  W2  1  0.083164  0.879881  0.499994  1
  W  W3  1  -0.000001  0.498015  0.500000  1
  W  W4  1  0.083027  0.623446  0.500002  1
  W  W5  1  0.167333  0.749780  0.500000  1
  W  W6  1  0.249041  0.875556  0.499994  1
  W  W7  1  0.000001  0.249746  0.499995  1
  W  W8  1  0.083483  0.374219  0.499999  1
  W  W9  1  0.166816  0.499462  0.500004  1
  W  W10  1  0.249093  0.625101  0.500006  1
  W  W11  1  0.332393  0.751202  0.500002  1
  W  W12  1  0.416639  0.875370  0.499995  1
  W  W13  1  -0.000001  0.001551  0.499987  1
  W  W14  1  0.083616  0.125516  0.499989  1
  W  W15  1  0.166931  0.249708  0.499993  1
  W  W16  1  0.250510  0.374841  0.500002  1
  W  W17  1  0.333434  0.499973  0.500007  1
  W  W18  1  0.416364  0.625552  0.500009  1
  W  W19  1  0.499999  0.750623  0.500002  1
  W  W20  1  0.583360  0.875370  0.499994  1
  W  W21  1  0.167049  -0.000042  0.499990  1
  W  W22  1  0.250281  0.125211  0.499991  1
  W  W23  1  0.333558  0.250156  0.499997  1
  W  W24  1  0.416629  0.375371  0.500007  1
  W  W25  1  0.500001  0.500631  0.500009  1
  W  W26  1  0.583636  0.625552  0.500006  1
  W  W27  1  0.667609  0.751203  0.499999  1
  W  W28  1  0.750958  0.875555  0.499993  1
  W  W29  1  0.333472  0.000281  0.499990  1
  W  W30  1  0.416724  0.125214  0.499995  1
  W  W31  1  0.499999  0.250272  0.500003  1
  W  W32  1  0.583371  0.375371  0.500008  1
  W  W33  1  0.666564  0.499972  0.500004  1
  W  W34  1  0.750906  0.625102  0.500003  1
  W  W35  1  0.832645  0.749779  0.499997  1
  W  W36  1  0.916837  0.879875  0.499994  1
  W  W37  1  0.500001  0.000308  0.499995  1
  W  W38  1  0.583277  0.125214  0.499996  1
  W  W39  1  0.666444  0.250156  0.500002  1
  W  W40  1  0.749490  0.374839  0.500005  1
  W  W41  1  0.833186  0.499463  0.500004  1
  W  W42  1  0.916968  0.623448  0.500001  1
  W  W43  1  0.666525  0.000282  0.499992  1
  W  W44  1  0.749720  0.125212  0.499996  1
  W  W45  1  0.833067  0.249708  0.499998  1
  W  W46  1  0.916517  0.374219  0.500000  1
  W  W47  1  0.832952  -0.000042  0.499992  1
  W  W48  1  0.916384  0.125516  0.499992  1
  S  S49  1  0.077633  0.790998  0.395941  1
  S  S50  1  0.166926  0.917301  0.387684  1
  S  S51  1  0.083311  0.540148  0.389687  1
  S  S52  1  0.165952  0.666820  0.389612  1
  S  S53  1  0.248841  0.792374  0.388969  1
  S  S54  1  0.333082  0.916886  0.389819  1
  S  S55  1  0.083518  0.291151  0.389415  1
  S  S56  1  0.166903  0.416126  0.389629  1
  S  S57  1  0.249986  0.541726  0.389537  1
  S  S58  1  0.332732  0.667333  0.390057  1
  S  S59  1  0.416339  0.792113  0.389549  1
  S  S60  1  0.500000  0.916951  0.389514  1
  S  S61  1  0.083791  0.042524  0.389375  1
  S  S62  1  0.167030  0.166680  0.389379  1
  S  S63  1  0.250196  0.291601  0.389521  1
  S  S64  1  0.333452  0.416824  0.389399  1
  S  S65  1  0.416528  0.542227  0.389620  1
  S  S66  1  0.500000  0.667236  0.389779  1
  S  S67  1  0.583660  0.792112  0.389550  1
  S  S68  1  0.666918  0.916886  0.389818  1
  S  S69  1  0.250176  0.041888  0.389513  1
  S  S70  1  0.333576  0.166864  0.389460  1
  S  S71  1  0.416778  0.291989  0.389514  1
  S  S72  1  0.500000  0.417153  0.389637  1
  S  S73  1  0.583472  0.542227  0.389618  1
  S  S74  1  0.667267  0.667333  0.390056  1
  S  S75  1  0.751154  0.792376  0.388962  1
  S  S76  1  0.833075  0.917300  0.387685  1
  S  S77  1  0.416738  0.041927  0.389458  1
  S  S78  1  0.500000  0.166929  0.389557  1
  S  S79  1  0.583222  0.291989  0.389514  1
  S  S80  1  0.666548  0.416824  0.389397  1
  S  S81  1  0.750014  0.541726  0.389538  1
  S  S82  1  0.834048  0.666820  0.389612  1
  S  S83  1  0.922376  0.790983  0.395958  1
  S  S84  1  -0.000000  0.919197  0.389121  1
  S  S85  1  0.583262  0.041927  0.389455  1
  S  S86  1  0.666424  0.166864  0.389457  1
  S  S87  1  0.749804  0.291601  0.389518  1
  S  S88  1  0.833096  0.416126  0.389629  1
  S  S89  1  0.916688  0.540150  0.389688  1
  S  S90  1  -0.000001  0.659989  0.384241  1
  S  S91  1  0.749824  0.041887  0.389511  1
  S  S92  1  0.832971  0.166680  0.389376  1
  S  S93  1  0.916482  0.291151  0.389414  1
  S  S94  1  -0.000000  0.415219  0.389193  1
  S  S95  1  0.916209  0.042524  0.389373  1
  S  S96  1  0.000000  0.166653  0.389401  1
  S  S97  1  0.077631  0.790997  0.604061  1
  S  S98  1  0.166925  0.917300  0.612328  1
  S  S99  1  0.083311  0.540148  0.610304  1
  S  S100  1  0.165952  0.666819  0.610386  1
  S  S101  1  0.248841  0.792371  0.611033  1
  S  S102  1  0.333084  0.916884  0.610193  1
  S  S103  1  0.083519  0.291153  0.610586  1
  S  S104  1  0.166902  0.416125  0.610365  1
  S  S105  1  0.249985  0.541726  0.610453  1
  S  S106  1  0.332734  0.667331  0.609937  1
  S  S107  1  0.416338  0.792112  0.610451  1
  S  S108  1  0.500000  0.916948  0.610494  1
  S  S109  1  0.083791  0.042522  0.610638  1
  S  S110  1  0.167027  0.166680  0.610637  1
  S  S111  1  0.250196  0.291604  0.610482  1
  S  S112  1  0.333452  0.416825  0.610595  1
  S  S113  1  0.416528  0.542226  0.610369  1
  S  S114  1  0.500000  0.667232  0.610209  1
  S  S115  1  0.583661  0.792111  0.610450  1
  S  S116  1  0.666916  0.916885  0.610191  1
  S  S117  1  0.250174  0.041889  0.610502  1
  S  S118  1  0.333575  0.166868  0.610555  1
  S  S119  1  0.416779  0.291990  0.610491  1
  S  S120  1  0.500000  0.417153  0.610348  1
  S  S121  1  0.583472  0.542227  0.610368  1
  S  S122  1  0.667265  0.667331  0.609937  1
  S  S123  1  0.751153  0.792375  0.611040  1
  S  S124  1  0.833076  0.917298  0.612325  1
  S  S125  1  0.416738  0.041926  0.610556  1
  S  S126  1  0.500000  0.166932  0.610453  1
  S  S127  1  0.583221  0.291989  0.610488  1
  S  S128  1  0.666548  0.416824  0.610595  1
  S  S129  1  0.750013  0.541726  0.610451  1
  S  S130  1  0.834048  0.666819  0.610385  1
  S  S131  1  0.922377  0.790981  0.604042  1
  S  S132  1  -0.000001  0.919196  0.610890  1
  S  S133  1  0.583263  0.041927  0.610556  1
  S  S134  1  0.666426  0.166867  0.610552  1
  S  S135  1  0.749804  0.291603  0.610480  1
  S  S136  1  0.833097  0.416126  0.610364  1
  S  S137  1  0.916689  0.540149  0.610304  1
  S  S138  1  -0.000000  0.659987  0.615753  1
  S  S139  1  0.749825  0.041889  0.610498  1
  S  S140  1  0.832973  0.166680  0.610634  1
  S  S141  1  0.916481  0.291153  0.610584  1
  S  S142  1  -0.000000  0.415220  0.610803  1
  S  S143  1  0.916209  0.042523  0.610637  1
  S  S144  1  -0.000000  0.166654  0.610607  1
