# 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  0.969082  0.734385  0.500010  1
  W  W2  1  0.085289  0.876442  0.499999  1
  W  W3  1  0.000425  0.497865  0.500004  1
  W  W4  1  0.087252  0.619443  0.500007  1
  W  W5  1  0.168740  0.750941  0.500002  1
  W  W6  1  0.251881  0.876138  0.499999  1
  W  W7  1  0.000593  0.249327  0.499993  1
  W  W8  1  0.083350  0.373572  0.499999  1
  W  W9  1  0.166237  0.498797  0.500005  1
  W  W10  1  0.250269  0.625557  0.500004  1
  W  W11  1  0.334451  0.751185  0.500001  1
  W  W12  1  0.417172  0.876047  0.499996  1
  W  W13  1  0.000757  -0.000000  0.499997  1
  W  W14  1  0.083900  0.124816  0.499993  1
  W  W15  1  0.167019  0.249249  0.499994  1
  W  W16  1  0.250412  0.374265  0.499999  1
  W  W17  1  0.333158  0.499883  0.500004  1
  W  W18  1  0.417004  0.625498  0.500002  1
  W  W19  1  0.500124  0.750509  0.499999  1
  W  W20  1  0.582804  0.875915  0.499997  1
  W  W21  1  0.168421  0.000475  0.499996  1
  W  W22  1  0.250636  0.125366  0.499995  1
  W  W23  1  0.334047  0.250311  0.499996  1
  W  W24  1  0.416198  0.375312  0.499999  1
  W  W25  1  0.500333  0.500638  0.500001  1
  W  W26  1  0.583462  0.625600  0.500000  1
  W  W27  1  0.666015  0.750979  0.499998  1
  W  W28  1  0.748678  0.876400  0.499998  1
  W  W29  1  0.334455  0.000362  0.499997  1
  W  W30  1  0.417187  0.125417  0.499995  1
  W  W31  1  0.499953  0.249987  0.499996  1
  W  W32  1  0.583396  0.375327  0.499998  1
  W  W33  1  0.666921  0.499922  0.500001  1
  W  W34  1  0.750496  0.625268  0.500002  1
  W  W35  1  0.829813  0.753620  0.500003  1
  W  W36  1  0.913397  0.880773  0.500002  1
  W  W37  1  0.500643  0.000844  0.499995  1
  W  W38  1  0.582937  0.125621  0.499995  1
  W  W39  1  0.667088  0.250221  0.499996  1
  W  W40  1  0.749473  0.374456  0.499999  1
  W  W41  1  0.833771  0.498736  0.500003  1
  W  W42  1  0.918387  0.620235  0.500006  1
  W  W43  1  0.665992  0.000726  0.499996  1
  W  W44  1  0.749503  0.125450  0.499995  1
  W  W45  1  0.832885  0.249166  0.499995  1
  W  W46  1  0.916667  0.373527  0.499999  1
  W  W47  1  0.832229  0.000231  0.499997  1
  W  W48  1  0.916339  0.124819  0.499994  1
  S  S49  1  0.087183  0.793820  0.389116  1
  S  S50  1  0.168423  0.917491  0.389239  1
  S  S51  1  0.083739  0.538384  0.387132  1
  S  S52  1  0.166975  0.667439  0.390391  1
  S  S53  1  0.251420  0.792748  0.389335  1
  S  S54  1  0.334563  0.917555  0.388753  1
  S  S55  1  0.083792  0.290672  0.389062  1
  S  S56  1  0.166867  0.415455  0.389557  1
  S  S57  1  0.249935  0.541680  0.389664  1
  S  S58  1  0.333728  0.667267  0.389503  1
  S  S59  1  0.417245  0.792574  0.389332  1
  S  S60  1  0.500163  0.917592  0.389122  1
  S  S61  1  0.084146  0.041667  0.389395  1
  S  S62  1  0.167119  0.166303  0.389281  1
  S  S63  1  0.250299  0.291180  0.389303  1
  S  S64  1  0.333110  0.416799  0.389364  1
  S  S65  1  0.416585  0.542033  0.389738  1
  S  S66  1  0.500214  0.667139  0.389408  1
  S  S67  1  0.582912  0.792456  0.389279  1
  S  S68  1  0.665731  0.917635  0.389190  1
  S  S69  1  0.251194  0.042101  0.389362  1
  S  S70  1  0.333913  0.167012  0.389398  1
  S  S71  1  0.416989  0.292077  0.389382  1
  S  S72  1  0.499917  0.417048  0.389696  1
  S  S73  1  0.583746  0.542140  0.389586  1
  S  S74  1  0.667090  0.667027  0.389542  1
  S  S75  1  0.747713  0.793167  0.388317  1
  S  S76  1  0.830705  0.918624  0.387002  1
  S  S77  1  0.417335  0.042281  0.389226  1
  S  S78  1  0.500045  0.167044  0.389165  1
  S  S79  1  0.583383  0.291920  0.389661  1
  S  S80  1  0.666603  0.416765  0.389401  1
  S  S81  1  0.750436  0.541707  0.389688  1
  S  S82  1  0.834322  0.667087  0.390963  1
  S  S83  1  0.913376  0.796062  0.390532  1
  S  S84  1  0.000966  0.916709  0.390255  1
  S  S85  1  0.583388  0.042535  0.389017  1
  S  S86  1  0.666341  0.166995  0.389218  1
  S  S87  1  0.750038  0.291399  0.389192  1
  S  S88  1  0.833239  0.415450  0.389478  1
  S  S89  1  0.916812  0.538834  0.388340  1
  S  S90  1  0.002576  0.661722  0.390512  1
  S  S91  1  0.749354  0.042352  0.389367  1
  S  S92  1  0.833164  0.166216  0.389270  1
  S  S93  1  0.916616  0.290481  0.389471  1
  S  S94  1  1.000025  0.414887  0.389337  1
  S  S95  1  0.916775  0.041632  0.389566  1
  S  S96  1  0.000178  0.166047  0.389582  1
  S  S97  1  0.087179  0.793819  0.610881  1
  S  S98  1  0.168423  0.917493  0.610759  1
  S  S99  1  0.083738  0.538380  0.612879  1
  S  S100  1  0.166975  0.667441  0.609617  1
  S  S101  1  0.251419  0.792749  0.610667  1
  S  S102  1  0.334564  0.917557  0.611245  1
  S  S103  1  0.083792  0.290671  0.610933  1
  S  S104  1  0.166867  0.415452  0.610445  1
  S  S105  1  0.249934  0.541680  0.610346  1
  S  S106  1  0.333728  0.667268  0.610505  1
  S  S107  1  0.417245  0.792576  0.610671  1
  S  S108  1  0.500162  0.917593  0.610875  1
  S  S109  1  0.084147  0.041668  0.610596  1
  S  S110  1  0.167119  0.166301  0.610711  1
  S  S111  1  0.250298  0.291178  0.610695  1
  S  S112  1  0.333109  0.416798  0.610640  1
  S  S113  1  0.416584  0.542033  0.610274  1
  S  S114  1  0.500215  0.667141  0.610598  1
  S  S115  1  0.582912  0.792458  0.610723  1
  S  S116  1  0.665730  0.917637  0.610807  1
  S  S117  1  0.251194  0.042102  0.610632  1
  S  S118  1  0.333912  0.167011  0.610595  1
  S  S119  1  0.416988  0.292075  0.610619  1
  S  S120  1  0.499917  0.417047  0.610309  1
  S  S121  1  0.583747  0.542140  0.610422  1
  S  S122  1  0.667090  0.667028  0.610463  1
  S  S123  1  0.747711  0.793169  0.611687  1
  S  S124  1  0.830703  0.918626  0.612998  1
  S  S125  1  0.417335  0.042281  0.610770  1
  S  S126  1  0.500045  0.167043  0.610831  1
  S  S127  1  0.583382  0.291918  0.610337  1
  S  S128  1  0.666604  0.416764  0.610605  1
  S  S129  1  0.750436  0.541707  0.610320  1
  S  S130  1  0.834319  0.667087  0.609046  1
  S  S131  1  0.913371  0.796065  0.609481  1
  S  S132  1  0.000967  0.916711  0.609744  1
  S  S133  1  0.583388  0.042535  0.610977  1
  S  S134  1  0.666341  0.166995  0.610777  1
  S  S135  1  0.750039  0.291394  0.610806  1
  S  S136  1  0.833238  0.415447  0.610527  1
  S  S137  1  0.916811  0.538832  0.611670  1
  S  S138  1  0.002576  0.661720  0.609505  1
  S  S139  1  0.749353  0.042353  0.610628  1
  S  S140  1  0.833164  0.166215  0.610724  1
  S  S141  1  0.916616  0.290479  0.610524  1
  S  S142  1  1.000026  0.414884  0.610666  1
  S  S143  1  0.916777  0.041634  0.610428  1
  S  S144  1  0.000179  0.166046  0.610408  1
