# 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  -0.019846  0.730572  0.499950  1
  W  W2  1  0.084168  0.878926  0.500017  1
  W  W3  1  -0.001009  0.497150  0.499992  1
  W  W4  1  0.080369  0.622516  0.499992  1
  W  W5  1  0.166119  0.754621  0.500018  1
  W  W6  1  0.251386  0.876631  0.500003  1
  W  W7  1  0.000064  0.249611  0.499997  1
  W  W8  1  0.083375  0.374079  0.499993  1
  W  W9  1  0.166851  0.499187  0.499993  1
  W  W10  1  0.248146  0.626266  0.499999  1
  W  W11  1  0.334093  0.751005  0.499999  1
  W  W12  1  0.417614  0.875882  0.499999  1
  W  W13  1  0.000881  0.001679  0.499997  1
  W  W14  1  0.084028  0.125734  0.499998  1
  W  W15  1  0.167221  0.250123  0.499997  1
  W  W16  1  0.250208  0.374980  0.499997  1
  W  W17  1  0.332618  0.500762  0.500000  1
  W  W18  1  0.415865  0.625719  0.500001  1
  W  W19  1  0.500382  0.750520  0.499997  1
  W  W20  1  0.584048  0.875366  0.499992  1
  W  W21  1  0.168514  0.001604  0.499999  1
  W  W22  1  0.251079  0.125782  0.500001  1
  W  W23  1  0.333809  0.250449  0.500001  1
  W  W24  1  0.416470  0.375545  0.500004  1
  W  W25  1  0.499380  0.500423  0.500005  1
  W  W26  1  0.582983  0.625309  0.500001  1
  W  W27  1  0.667085  0.750164  0.499994  1
  W  W28  1  0.750856  0.875115  0.499990  1
  W  W29  1  0.334526  0.001027  0.500002  1
  W  W30  1  0.417406  0.125577  0.500001  1
  W  W31  1  0.500055  0.250362  0.500002  1
  W  W32  1  0.582820  0.375115  0.500003  1
  W  W33  1  0.665990  0.499768  0.500003  1
  W  W34  1  0.749683  0.624390  0.499994  1
  W  W35  1  0.833471  0.751709  0.499991  1
  W  W36  1  0.918715  0.879153  0.499994  1
  W  W37  1  0.500820  0.000456  0.499998  1
  W  W38  1  0.583534  0.125218  0.499998  1
  W  W39  1  0.666320  0.249819  0.499998  1
  W  W40  1  0.749095  0.374025  0.499998  1
  W  W41  1  0.831745  0.497778  0.499996  1
  W  W42  1  0.916737  0.619333  0.499985  1
  W  W43  1  0.667163  0.000302  0.499990  1
  W  W44  1  0.749932  0.124994  0.499995  1
  W  W45  1  0.832929  0.249523  0.499998  1
  W  W46  1  0.916179  0.373603  0.499997  1
  W  W47  1  0.833424  0.000095  0.499991  1
  W  W48  1  0.916669  0.125371  0.499996  1
  S  S49  1  0.085582  0.795267  0.390223  1
  S  S50  1  0.168434  0.918917  0.388845  1
  S  S51  1  0.082903  0.539235  0.389819  1
  S  S52  1  0.163283  0.668877  0.391201  1
  S  S53  1  0.251520  0.793317  0.389351  1
  S  S54  1  0.334580  0.917815  0.389117  1
  S  S55  1  0.083563  0.291088  0.389162  1
  S  S56  1  0.166753  0.416029  0.389215  1
  S  S57  1  0.249121  0.542722  0.389405  1
  S  S58  1  0.332120  0.667500  0.389503  1
  S  S59  1  0.417377  0.792474  0.389256  1
  S  S60  1  0.500936  0.917165  0.389157  1
  S  S61  1  0.084513  0.042910  0.389120  1
  S  S62  1  0.167461  0.167092  0.389178  1
  S  S63  1  0.250435  0.291829  0.389150  1
  S  S64  1  0.333113  0.417318  0.389321  1
  S  S65  1  0.416004  0.542369  0.389384  1
  S  S66  1  0.499593  0.667127  0.389366  1
  S  S67  1  0.583880  0.791984  0.389278  1
  S  S68  1  0.667497  0.916886  0.389386  1
  S  S69  1  0.251442  0.042802  0.388944  1
  S  S70  1  0.334195  0.167284  0.389123  1
  S  S71  1  0.416845  0.292234  0.389211  1
  S  S72  1  0.499617  0.417123  0.389228  1
  S  S73  1  0.582768  0.541917  0.389348  1
  S  S74  1  0.666721  0.666689  0.389424  1
  S  S75  1  0.750469  0.791883  0.388927  1
  S  S76  1  0.833943  0.917098  0.388383  1
  S  S77  1  0.417712  0.042325  0.389131  1
  S  S78  1  0.500421  0.167106  0.389133  1
  S  S79  1  0.583152  0.291833  0.389181  1
  S  S80  1  0.666044  0.416436  0.389230  1
  S  S81  1  0.749242  0.541093  0.389201  1
  S  S82  1  0.833601  0.666094  0.390417  1
  S  S83  1  0.919396  0.792381  0.392375  1
  S  S84  1  0.001248  0.919302  0.388683  1
  S  S85  1  0.583919  0.041943  0.389139  1
  S  S86  1  0.666635  0.166629  0.389133  1
  S  S87  1  0.749507  0.291000  0.389065  1
  S  S88  1  0.832382  0.414836  0.389078  1
  S  S89  1  0.915082  0.537347  0.388465  1
  S  S90  1  -0.001607  0.657363  0.384652  1
  S  S91  1  0.750314  0.041775  0.389123  1
  S  S92  1  0.833156  0.166498  0.389118  1
  S  S93  1  0.916414  0.290700  0.389114  1
  S  S94  1  -0.000293  0.414643  0.388846  1
  S  S95  1  0.916738  0.042389  0.389282  1
  S  S96  1  0.000228  0.166668  0.389147  1
  S  S97  1  0.085644  0.795301  0.609867  1
  S  S98  1  0.168442  0.918926  0.611156  1
  S  S99  1  0.082900  0.539238  0.610187  1
  S  S100  1  0.163281  0.668873  0.608812  1
  S  S101  1  0.251531  0.793320  0.610655  1
  S  S102  1  0.334581  0.917816  0.610876  1
  S  S103  1  0.083563  0.291087  0.610845  1
  S  S104  1  0.166753  0.416029  0.610794  1
  S  S105  1  0.249122  0.542721  0.610601  1
  S  S106  1  0.332121  0.667501  0.610499  1
  S  S107  1  0.417376  0.792475  0.610741  1
  S  S108  1  0.500934  0.917165  0.610843  1
  S  S109  1  0.084516  0.042909  0.610878  1
  S  S110  1  0.167462  0.167092  0.610822  1
  S  S111  1  0.250436  0.291827  0.610854  1
  S  S112  1  0.333115  0.417319  0.610685  1
  S  S113  1  0.416005  0.542370  0.610615  1
  S  S114  1  0.499593  0.667127  0.610634  1
  S  S115  1  0.583879  0.791985  0.610727  1
  S  S116  1  0.667496  0.916886  0.610620  1
  S  S117  1  0.251442  0.042802  0.611050  1
  S  S118  1  0.334194  0.167283  0.610875  1
  S  S119  1  0.416844  0.292232  0.610790  1
  S  S120  1  0.499619  0.417124  0.610771  1
  S  S121  1  0.582768  0.541917  0.610651  1
  S  S122  1  0.666721  0.666687  0.610579  1
  S  S123  1  0.750472  0.791883  0.611081  1
  S  S124  1  0.833944  0.917098  0.611621  1
  S  S125  1  0.417711  0.042325  0.610864  1
  S  S126  1  0.500420  0.167105  0.610866  1
  S  S127  1  0.583151  0.291833  0.610820  1
  S  S128  1  0.666045  0.416436  0.610770  1
  S  S129  1  0.749241  0.541094  0.610801  1
  S  S130  1  0.833605  0.666094  0.609581  1
  S  S131  1  0.919423  0.792375  0.607601  1
  S  S132  1  0.001244  0.919305  0.611327  1
  S  S133  1  0.583918  0.041942  0.610862  1
  S  S134  1  0.666635  0.166629  0.610871  1
  S  S135  1  0.749506  0.291000  0.610941  1
  S  S136  1  0.832383  0.414837  0.610923  1
  S  S137  1  0.915083  0.537354  0.611535  1
  S  S138  1  -0.001609  0.657386  0.615313  1
  S  S139  1  0.750314  0.041775  0.610883  1
  S  S140  1  0.833156  0.166497  0.610888  1
  S  S141  1  0.916414  0.290700  0.610894  1
  S  S142  1  -0.000293  0.414643  0.611162  1
  S  S143  1  0.916737  0.042389  0.610721  1
  S  S144  1  0.000229  0.166667  0.610854  1
