# generated using pymatgen
data_RhW47S96
_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   RhW47S96
_chemical_formula_sum   'Rh1 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
  Rh  Rh1  1  0.969823  0.734742  0.500155  1
  W  W2  1  0.084087  0.875786  0.499928  1
  W  W3  1  0.000428  0.497785  0.500008  1
  W  W4  1  0.088000  0.619590  0.500014  1
  W  W5  1  0.168023  0.750065  0.499924  1
  W  W6  1  0.251369  0.875820  0.499982  1
  W  W7  1  1.000031  0.249129  0.499997  1
  W  W8  1  0.083764  0.373554  0.499998  1
  W  W9  1  0.166331  0.498344  0.499997  1
  W  W10  1  0.250864  0.625201  0.499988  1
  W  W11  1  0.334329  0.750930  0.499995  1
  W  W12  1  0.417298  0.876024  0.500003  1
  W  W13  1  0.000646  0.000255  0.499987  1
  W  W14  1  0.083889  0.124911  0.499997  1
  W  W15  1  0.167183  0.249368  0.499999  1
  W  W16  1  0.250425  0.374195  0.499998  1
  W  W17  1  0.333564  0.499996  0.499997  1
  W  W18  1  0.417419  0.625498  0.499996  1
  W  W19  1  0.500150  0.750833  0.499999  1
  W  W20  1  0.582936  0.876164  0.500002  1
  W  W21  1  0.167883  0.000302  0.499997  1
  W  W22  1  0.250754  0.125183  0.500004  1
  W  W23  1  0.333720  0.249990  0.500003  1
  W  W24  1  0.416889  0.375242  0.500001  1
  W  W25  1  0.500200  0.500378  0.499998  1
  W  W26  1  0.583786  0.625637  0.499998  1
  W  W27  1  0.665707  0.750899  0.500002  1
  W  W28  1  0.748588  0.876449  0.500006  1
  W  W29  1  0.334297  0.000702  0.500007  1
  W  W30  1  0.417131  0.125570  0.500008  1
  W  W31  1  0.500090  0.250469  0.500005  1
  W  W32  1  0.583433  0.375375  0.500000  1
  W  W33  1  0.667022  0.500157  0.499999  1
  W  W34  1  0.750545  0.625277  0.500008  1
  W  W35  1  0.830374  0.754044  0.500034  1
  W  W36  1  0.913855  0.880977  0.500012  1
  W  W37  1  0.500112  1.000874  0.500006  1
  W  W38  1  0.583186  0.125756  0.500004  1
  W  W39  1  0.666400  0.250190  0.500002  1
  W  W40  1  0.749810  0.374483  0.500000  1
  W  W41  1  0.833269  0.498602  0.500003  1
  W  W42  1  0.919249  0.620511  0.500037  1
  W  W43  1  0.666113  0.001159  0.500000  1
  W  W44  1  0.749411  0.125564  0.499998  1
  W  W45  1  0.833161  0.249551  0.499998  1
  W  W46  1  0.916729  0.373653  0.500001  1
  W  W47  1  0.831884  0.000394  0.499995  1
  W  W48  1  0.916601  0.124804  0.499995  1
  S  S49  1  0.085916  0.792799  0.389100  1
  S  S50  1  0.167650  0.917051  0.389512  1
  S  S51  1  0.083854  0.538334  0.387229  1
  S  S52  1  0.167791  0.666910  0.389947  1
  S  S53  1  0.250969  0.792311  0.389540  1
  S  S54  1  0.334222  0.917523  0.389064  1
  S  S55  1  0.083588  0.290529  0.389229  1
  S  S56  1  0.167041  0.415341  0.389203  1
  S  S57  1  0.250111  0.541319  0.389601  1
  S  S58  1  0.334129  0.667145  0.389389  1
  S  S59  1  0.417087  0.792610  0.389178  1
  S  S60  1  0.500090  0.917706  0.389013  1
  S  S61  1  0.084027  0.041759  0.389273  1
  S  S62  1  0.167219  0.166310  0.389198  1
  S  S63  1  0.250376  0.291159  0.389161  1
  S  S64  1  0.333453  0.416691  0.389408  1
  S  S65  1  0.416852  0.542078  0.389483  1
  S  S66  1  0.500505  0.667363  0.389331  1
  S  S67  1  0.582863  0.792698  0.389172  1
  S  S68  1  0.665791  0.917961  0.389101  1
  S  S69  1  0.250806  0.041932  0.389200  1
  S  S70  1  0.333834  0.166875  0.389169  1
  S  S71  1  0.416820  0.292018  0.389255  1
  S  S72  1  0.500118  0.417095  0.389324  1
  S  S73  1  0.583673  0.542128  0.389501  1
  S  S74  1  0.667255  0.667174  0.389462  1
  S  S75  1  0.747721  0.793192  0.388402  1
  S  S76  1  0.830721  0.918615  0.387104  1
  S  S77  1  0.417133  0.042426  0.389061  1
  S  S78  1  0.500108  0.167322  0.389143  1
  S  S79  1  0.583292  0.292133  0.389262  1
  S  S80  1  0.666810  0.416838  0.389321  1
  S  S81  1  0.750482  0.541823  0.389497  1
  S  S82  1  0.834544  0.667162  0.390953  1
  S  S83  1  0.913510  0.796027  0.390497  1
  S  S84  1  0.000900  0.917107  0.389869  1
  S  S85  1  0.583127  0.042609  0.389086  1
  S  S86  1  0.666347  0.167163  0.389073  1
  S  S87  1  0.749849  0.291343  0.389219  1
  S  S88  1  0.833304  0.415489  0.389245  1
  S  S89  1  0.916804  0.538881  0.388485  1
  S  S90  1  0.002921  0.661827  0.390538  1
  S  S91  1  0.749362  0.042543  0.389073  1
  S  S92  1  0.833228  0.166413  0.389296  1
  S  S93  1  0.916646  0.290650  0.389176  1
  S  S94  1  0.000253  0.414839  0.389217  1
  S  S95  1  0.916526  0.041675  0.389463  1
  S  S96  1  1.000187  0.166029  0.389322  1
  S  S97  1  0.085750  0.792713  0.610601  1
  S  S98  1  0.167623  0.917026  0.610431  1
  S  S99  1  0.083863  0.538326  0.612785  1
  S  S100  1  0.167798  0.666940  0.609999  1
  S  S101  1  0.250930  0.792302  0.610399  1
  S  S102  1  0.334211  0.917515  0.610930  1
  S  S103  1  0.083586  0.290528  0.610771  1
  S  S104  1  0.167041  0.415342  0.610798  1
  S  S105  1  0.250112  0.541327  0.610389  1
  S  S106  1  0.334124  0.667144  0.610595  1
  S  S107  1  0.417080  0.792607  0.610817  1
  S  S108  1  0.500087  0.917703  0.610994  1
  S  S109  1  0.084022  0.041755  0.610710  1
  S  S110  1  0.167214  0.166309  0.610802  1
  S  S111  1  0.250372  0.291159  0.610845  1
  S  S112  1  0.333452  0.416694  0.610596  1
  S  S113  1  0.416851  0.542079  0.610513  1
  S  S114  1  0.500503  0.667362  0.610663  1
  S  S115  1  0.582858  0.792697  0.610830  1
  S  S116  1  0.665787  0.917964  0.610905  1
  S  S117  1  0.250799  0.041927  0.610800  1
  S  S118  1  0.333831  0.166874  0.610843  1
  S  S119  1  0.416819  0.292020  0.610756  1
  S  S120  1  0.500119  0.417097  0.610678  1
  S  S121  1  0.583672  0.542128  0.610495  1
  S  S122  1  0.667248  0.667174  0.610542  1
  S  S123  1  0.747697  0.793198  0.611622  1
  S  S124  1  0.830717  0.918627  0.612906  1
  S  S125  1  0.417132  0.042423  0.610953  1
  S  S126  1  0.500111  0.167321  0.610871  1
  S  S127  1  0.583295  0.292135  0.610743  1
  S  S128  1  0.666810  0.416839  0.610676  1
  S  S129  1  0.750478  0.541818  0.610506  1
  S  S130  1  0.834526  0.667153  0.609093  1
  S  S131  1  0.913423  0.796066  0.609661  1
  S  S132  1  0.000930  0.917101  0.610084  1
  S  S133  1  0.583130  0.042609  0.610921  1
  S  S134  1  0.666351  0.167163  0.610931  1
  S  S135  1  0.749851  0.291343  0.610781  1
  S  S136  1  0.833302  0.415487  0.610755  1
  S  S137  1  0.916798  0.538858  0.611542  1
  S  S138  1  0.002914  0.661742  0.609620  1
  S  S139  1  0.749365  0.042544  0.610924  1
  S  S140  1  0.833230  0.166411  0.610699  1
  S  S141  1  0.916646  0.290648  0.610822  1
  S  S142  1  0.000253  0.414834  0.610790  1
  S  S143  1  0.916532  0.041671  0.610514  1
  S  S144  1  0.000186  0.166027  0.610670  1
