# 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  -0.000003  0.737489  0.499999  1
  W  W2  1  0.081326  0.880276  0.499998  1
  W  W3  1  -0.000001  0.498101  0.499998  1
  W  W4  1  0.082900  0.621833  0.499998  1
  W  W5  1  0.165794  0.751089  0.499998  1
  W  W6  1  0.249064  0.875357  0.499996  1
  W  W7  1  -0.000001  0.250345  0.499998  1
  W  W8  1  0.083611  0.374580  0.499999  1
  W  W9  1  0.167533  0.499136  0.500000  1
  W  W10  1  0.249381  0.625039  0.499999  1
  W  W11  1  0.332418  0.750016  0.499998  1
  W  W12  1  0.416468  0.874987  0.499996  1
  W  W13  1  0.000002  0.002702  0.499998  1
  W  W14  1  0.083640  0.126216  0.499997  1
  W  W15  1  0.167054  0.250311  0.499997  1
  W  W16  1  0.250539  0.374810  0.500000  1
  W  W17  1  0.333466  0.500112  0.500000  1
  W  W18  1  0.416545  0.625152  0.500000  1
  W  W19  1  0.500000  0.749919  0.499999  1
  W  W20  1  0.583533  0.874985  0.499997  1
  W  W21  1  0.166907  0.000580  0.499996  1
  W  W22  1  0.250237  0.125356  0.499995  1
  W  W23  1  0.333596  0.250089  0.499998  1
  W  W24  1  0.416832  0.375115  0.500000  1
  W  W25  1  0.499998  0.500109  0.500000  1
  W  W26  1  0.583454  0.625152  0.500000  1
  W  W27  1  0.667583  0.750016  0.499998  1
  W  W28  1  0.750938  0.875353  0.499998  1
  W  W29  1  0.333188  0.000242  0.499995  1
  W  W30  1  0.416764  0.125087  0.499995  1
  W  W31  1  0.499999  0.250091  0.499999  1
  W  W32  1  0.583166  0.375115  0.500000  1
  W  W33  1  0.666533  0.500113  0.500000  1
  W  W34  1  0.750621  0.625038  0.499998  1
  W  W35  1  0.834204  0.751088  0.499998  1
  W  W36  1  0.918674  0.880278  0.499999  1
  W  W37  1  0.500001  -0.000045  0.499995  1
  W  W38  1  0.583237  0.125086  0.499996  1
  W  W39  1  0.666403  0.250088  0.499999  1
  W  W40  1  0.749459  0.374811  0.499999  1
  W  W41  1  0.832464  0.499137  0.499998  1
  W  W42  1  0.917102  0.621833  0.499998  1
  W  W43  1  0.666814  0.000240  0.499997  1
  W  W44  1  0.749764  0.125353  0.499998  1
  W  W45  1  0.832946  0.250311  0.499998  1
  W  W46  1  0.916387  0.374579  0.499999  1
  W  W47  1  0.833096  0.000579  0.499999  1
  W  W48  1  0.916360  0.126214  0.499998  1
  S  S49  1  0.077838  0.791805  0.395298  1
  S  S50  1  0.166395  0.917426  0.388076  1
  S  S51  1  0.083830  0.539103  0.388962  1
  S  S52  1  0.165487  0.666967  0.389787  1
  S  S53  1  0.248840  0.792121  0.389122  1
  S  S54  1  0.333000  0.916765  0.389481  1
  S  S55  1  0.083565  0.291580  0.389100  1
  S  S56  1  0.167218  0.416007  0.389134  1
  S  S57  1  0.250222  0.541719  0.389129  1
  S  S58  1  0.332875  0.666734  0.389368  1
  S  S59  1  0.416236  0.791583  0.389461  1
  S  S60  1  0.500001  0.916572  0.389297  1
  S  S61  1  0.084002  0.043379  0.389162  1
  S  S62  1  0.167121  0.167255  0.389084  1
  S  S63  1  0.250431  0.291674  0.389074  1
  S  S64  1  0.333641  0.416763  0.389178  1
  S  S65  1  0.416731  0.541830  0.389232  1
  S  S66  1  0.500000  0.666741  0.389205  1
  S  S67  1  0.583765  0.791581  0.389460  1
  S  S68  1  0.667002  0.916762  0.389481  1
  S  S69  1  0.250113  0.042073  0.389134  1
  S  S70  1  0.333572  0.166802  0.389170  1
  S  S71  1  0.416804  0.291776  0.389173  1
  S  S72  1  0.499999  0.416801  0.389137  1
  S  S73  1  0.583266  0.541830  0.389232  1
  S  S74  1  0.667127  0.666733  0.389369  1
  S  S75  1  0.751160  0.792120  0.389121  1
  S  S76  1  0.833607  0.917425  0.388074  1
  S  S77  1  0.416681  0.041699  0.389267  1
  S  S78  1  0.500001  0.166756  0.389179  1
  S  S79  1  0.583195  0.291775  0.389175  1
  S  S80  1  0.666357  0.416764  0.389178  1
  S  S81  1  0.749777  0.541720  0.389130  1
  S  S82  1  0.834516  0.666968  0.389785  1
  S  S83  1  0.922157  0.791809  0.395300  1
  S  S84  1  0.000001  0.921028  0.387795  1
  S  S85  1  0.583322  0.041697  0.389267  1
  S  S86  1  0.666430  0.166801  0.389168  1
  S  S87  1  0.749569  0.291673  0.389073  1
  S  S88  1  0.832780  0.416007  0.389134  1
  S  S89  1  0.916168  0.539102  0.388963  1
  S  S90  1  -0.000000  0.659455  0.386974  1
  S  S91  1  0.749889  0.042071  0.389133  1
  S  S92  1  0.832879  0.167253  0.389084  1
  S  S93  1  0.916434  0.291580  0.389101  1
  S  S94  1  -0.000002  0.415416  0.388872  1
  S  S95  1  0.916001  0.043378  0.389163  1
  S  S96  1  -0.000000  0.167406  0.389082  1
  S  S97  1  0.077839  0.791805  0.604702  1
  S  S98  1  0.166395  0.917425  0.611926  1
  S  S99  1  0.083830  0.539103  0.611039  1
  S  S100  1  0.165487  0.666968  0.610214  1
  S  S101  1  0.248840  0.792120  0.610880  1
  S  S102  1  0.333000  0.916765  0.610522  1
  S  S103  1  0.083565  0.291580  0.610902  1
  S  S104  1  0.167218  0.416007  0.610866  1
  S  S105  1  0.250222  0.541719  0.610871  1
  S  S106  1  0.332875  0.666734  0.610632  1
  S  S107  1  0.416236  0.791582  0.610541  1
  S  S108  1  0.500001  0.916572  0.610707  1
  S  S109  1  0.084002  0.043379  0.610841  1
  S  S110  1  0.167121  0.167256  0.610920  1
  S  S111  1  0.250431  0.291674  0.610928  1
  S  S112  1  0.333641  0.416763  0.610822  1
  S  S113  1  0.416731  0.541830  0.610767  1
  S  S114  1  0.500000  0.666741  0.610795  1
  S  S115  1  0.583765  0.791580  0.610541  1
  S  S116  1  0.667002  0.916762  0.610522  1
  S  S117  1  0.250113  0.042073  0.610871  1
  S  S118  1  0.333572  0.166803  0.610834  1
  S  S119  1  0.416804  0.291777  0.610828  1
  S  S120  1  0.499999  0.416801  0.610862  1
  S  S121  1  0.583266  0.541830  0.610767  1
  S  S122  1  0.667127  0.666733  0.610632  1
  S  S123  1  0.751160  0.792119  0.610882  1
  S  S124  1  0.833607  0.917425  0.611929  1
  S  S125  1  0.416681  0.041699  0.610737  1
  S  S126  1  0.500001  0.166756  0.610824  1
  S  S127  1  0.583195  0.291775  0.610826  1
  S  S128  1  0.666357  0.416764  0.610822  1
  S  S129  1  0.749777  0.541720  0.610871  1
  S  S130  1  0.834515  0.666968  0.610218  1
  S  S131  1  0.922158  0.791809  0.604702  1
  S  S132  1  0.000002  0.921028  0.612208  1
  S  S133  1  0.583322  0.041697  0.610737  1
  S  S134  1  0.666429  0.166801  0.610834  1
  S  S135  1  0.749569  0.291673  0.610928  1
  S  S136  1  0.832780  0.416007  0.610867  1
  S  S137  1  0.916168  0.539101  0.611039  1
  S  S138  1  0.000000  0.659456  0.613028  1
  S  S139  1  0.749889  0.042071  0.610871  1
  S  S140  1  0.832879  0.167253  0.610919  1
  S  S141  1  0.916434  0.291580  0.610901  1
  S  S142  1  -0.000002  0.415416  0.611129  1
  S  S143  1  0.916001  0.043378  0.610841  1
  S  S144  1  -0.000000  0.167406  0.610921  1
