# 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  -0.000018  0.736939  0.500000  1
  W  W2  1  0.082539  0.880318  0.499999  1
  W  W3  1  0.000001  0.498224  0.499995  1
  W  W4  1  0.082786  0.623088  0.499997  1
  W  W5  1  0.166527  0.750174  0.499999  1
  W  W6  1  0.249033  0.875338  0.499999  1
  W  W7  1  -0.000000  0.249955  0.499998  1
  W  W8  1  0.083501  0.374355  0.499998  1
  W  W9  1  0.166981  0.499277  0.499998  1
  W  W10  1  0.249214  0.624955  0.500000  1
  W  W11  1  0.332424  0.750756  0.500001  1
  W  W12  1  0.416610  0.875206  0.500000  1
  W  W13  1  0.000001  0.001986  0.499998  1
  W  W14  1  0.083672  0.125717  0.499999  1
  W  W15  1  0.167019  0.249974  0.500000  1
  W  W16  1  0.250391  0.374779  0.500000  1
  W  W17  1  0.333363  0.500080  0.499999  1
  W  W18  1  0.416503  0.625345  0.500001  1
  W  W19  1  0.500001  0.750299  0.500001  1
  W  W20  1  0.583391  0.875206  0.500000  1
  W  W21  1  0.167163  0.000159  0.499999  1
  W  W22  1  0.250337  0.125232  0.500000  1
  W  W23  1  0.333574  0.250119  0.500001  1
  W  W24  1  0.416734  0.375186  0.500001  1
  W  W25  1  0.500000  0.500340  0.500001  1
  W  W26  1  0.583497  0.625345  0.500000  1
  W  W27  1  0.667576  0.750755  0.499999  1
  W  W28  1  0.750968  0.875339  0.499998  1
  W  W29  1  0.333379  0.000334  0.500000  1
  W  W30  1  0.416813  0.125191  0.500000  1
  W  W31  1  0.500000  0.250188  0.500000  1
  W  W32  1  0.583266  0.375186  0.500000  1
  W  W33  1  0.666637  0.500080  0.499999  1
  W  W34  1  0.750786  0.624955  0.499998  1
  W  W35  1  0.833484  0.750175  0.499999  1
  W  W36  1  0.917462  0.880323  0.499999  1
  W  W37  1  0.500000  0.000185  0.500000  1
  W  W38  1  0.583187  0.125191  0.499998  1
  W  W39  1  0.666425  0.250119  0.499998  1
  W  W40  1  0.749609  0.374780  0.499997  1
  W  W41  1  0.833018  0.499277  0.499996  1
  W  W42  1  0.917217  0.623087  0.499996  1
  W  W43  1  0.666622  0.000334  0.499998  1
  W  W44  1  0.749662  0.125232  0.499997  1
  W  W45  1  0.832981  0.249974  0.499997  1
  W  W46  1  0.916499  0.374355  0.499996  1
  W  W47  1  0.832837  0.000160  0.499998  1
  W  W48  1  0.916328  0.125717  0.499997  1
  S  S49  1  0.077339  0.791325  0.395651  1
  S  S50  1  0.166828  0.917381  0.387670  1
  S  S51  1  0.083484  0.539961  0.389407  1
  S  S52  1  0.165838  0.666824  0.389583  1
  S  S53  1  0.248689  0.792130  0.388941  1
  S  S54  1  0.333009  0.916820  0.389661  1
  S  S55  1  0.083539  0.291309  0.389222  1
  S  S56  1  0.166945  0.416078  0.389293  1
  S  S57  1  0.249943  0.541638  0.389251  1
  S  S58  1  0.332768  0.667076  0.389741  1
  S  S59  1  0.416295  0.791897  0.389420  1
  S  S60  1  0.500000  0.916819  0.389301  1
  S  S61  1  0.083955  0.042812  0.389235  1
  S  S62  1  0.167096  0.166893  0.389199  1
  S  S63  1  0.250304  0.291604  0.389209  1
  S  S64  1  0.333478  0.416785  0.389285  1
  S  S65  1  0.416579  0.542011  0.389390  1
  S  S66  1  0.500000  0.666981  0.389417  1
  S  S67  1  0.583705  0.791897  0.389420  1
  S  S68  1  0.666991  0.916820  0.389660  1
  S  S69  1  0.250211  0.041956  0.389220  1
  S  S70  1  0.333609  0.166838  0.389244  1
  S  S71  1  0.416761  0.291868  0.389262  1
  S  S72  1  0.500000  0.416943  0.389333  1
  S  S73  1  0.583421  0.542011  0.389391  1
  S  S74  1  0.667233  0.667076  0.389741  1
  S  S75  1  0.751315  0.792129  0.388946  1
  S  S76  1  0.833171  0.917382  0.387670  1
  S  S77  1  0.416724  0.041848  0.389269  1
  S  S78  1  0.500000  0.166886  0.389237  1
  S  S79  1  0.583239  0.291869  0.389263  1
  S  S80  1  0.666522  0.416785  0.389286  1
  S  S81  1  0.750057  0.541638  0.389252  1
  S  S82  1  0.834162  0.666825  0.389583  1
  S  S83  1  0.922655  0.791335  0.395640  1
  S  S84  1  0.000002  0.919947  0.388540  1
  S  S85  1  0.583276  0.041848  0.389270  1
  S  S86  1  0.666391  0.166838  0.389245  1
  S  S87  1  0.749696  0.291605  0.389211  1
  S  S88  1  0.833054  0.416077  0.389294  1
  S  S89  1  0.916516  0.539960  0.389407  1
  S  S90  1  0.000000  0.660386  0.384643  1
  S  S91  1  0.749788  0.041956  0.389221  1
  S  S92  1  0.832904  0.166893  0.389201  1
  S  S93  1  0.916461  0.291309  0.389223  1
  S  S94  1  -0.000000  0.415403  0.389003  1
  S  S95  1  0.916045  0.042811  0.389235  1
  S  S96  1  -0.000000  0.166890  0.389253  1
  S  S97  1  0.077339  0.791325  0.604350  1
  S  S98  1  0.166828  0.917381  0.612331  1
  S  S99  1  0.083484  0.539961  0.610597  1
  S  S100  1  0.165839  0.666824  0.610419  1
  S  S101  1  0.248689  0.792130  0.611059  1
  S  S102  1  0.333010  0.916820  0.610339  1
  S  S103  1  0.083539  0.291309  0.610779  1
  S  S104  1  0.166946  0.416077  0.610708  1
  S  S105  1  0.249943  0.541638  0.610749  1
  S  S106  1  0.332769  0.667076  0.610259  1
  S  S107  1  0.416295  0.791897  0.610579  1
  S  S108  1  0.500000  0.916819  0.610699  1
  S  S109  1  0.083956  0.042813  0.610767  1
  S  S110  1  0.167096  0.166893  0.610801  1
  S  S111  1  0.250304  0.291604  0.610791  1
  S  S112  1  0.333478  0.416784  0.610715  1
  S  S113  1  0.416579  0.542011  0.610609  1
  S  S114  1  0.500000  0.666981  0.610582  1
  S  S115  1  0.583705  0.791897  0.610580  1
  S  S116  1  0.666991  0.916820  0.610340  1
  S  S117  1  0.250211  0.041956  0.610780  1
  S  S118  1  0.333609  0.166838  0.610756  1
  S  S119  1  0.416761  0.291868  0.610737  1
  S  S120  1  0.500000  0.416943  0.610666  1
  S  S121  1  0.583420  0.542011  0.610609  1
  S  S122  1  0.667232  0.667076  0.610259  1
  S  S123  1  0.751315  0.792129  0.611055  1
  S  S124  1  0.833171  0.917382  0.612331  1
  S  S125  1  0.416724  0.041848  0.610731  1
  S  S126  1  0.500000  0.166886  0.610763  1
  S  S127  1  0.583238  0.291869  0.610739  1
  S  S128  1  0.666522  0.416785  0.610716  1
  S  S129  1  0.750057  0.541638  0.610751  1
  S  S130  1  0.834162  0.666825  0.610419  1
  S  S131  1  0.922655  0.791335  0.604362  1
  S  S132  1  0.000002  0.919947  0.611462  1
  S  S133  1  0.583276  0.041847  0.610731  1
  S  S134  1  0.666391  0.166838  0.610757  1
  S  S135  1  0.749696  0.291605  0.610792  1
  S  S136  1  0.833054  0.416077  0.610710  1
  S  S137  1  0.916516  0.539960  0.610598  1
  S  S138  1  0.000000  0.660387  0.615360  1
  S  S139  1  0.749789  0.041956  0.610781  1
  S  S140  1  0.832904  0.166893  0.610802  1
  S  S141  1  0.916461  0.291309  0.610780  1
  S  S142  1  0.000000  0.415403  0.611001  1
  S  S143  1  0.916044  0.042812  0.610767  1
  S  S144  1  0.000000  0.166890  0.610749  1
