# 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  0.026942  0.735212  0.483732  1
  W  W2  1  0.084791  0.879890  0.498956  1
  W  W3  1  -0.000110  0.497922  0.498243  1
  W  W4  1  0.081755  0.620551  0.494405  1
  W  W5  1  0.169140  0.753156  0.494865  1
  W  W6  1  0.250973  0.876017  0.498711  1
  W  W7  1  0.999794  0.249390  0.500304  1
  W  W8  1  0.083328  0.373833  0.499661  1
  W  W9  1  0.166934  0.498533  0.498712  1
  W  W10  1  0.249724  0.625116  0.497711  1
  W  W11  1  0.334096  0.750738  0.498765  1
  W  W12  1  0.416934  0.875854  0.499476  1
  W  W13  1  0.999267  0.000568  0.501978  1
  W  W14  1  0.083329  0.125007  0.500876  1
  W  W15  1  0.166737  0.249642  0.500452  1
  W  W16  1  0.250193  0.374476  0.500096  1
  W  W17  1  0.333179  0.500079  0.499687  1
  W  W18  1  0.416452  0.625469  0.499666  1
  W  W19  1  0.499957  0.750680  0.499980  1
  W  W20  1  0.582783  0.875826  0.500354  1
  W  W21  1  0.167493  0.000497  0.500530  1
  W  W22  1  0.250274  0.125437  0.500554  1
  W  W23  1  0.333445  0.250132  0.500370  1
  W  W24  1  0.416589  0.375247  0.500232  1
  W  W25  1  0.499878  0.500313  0.500259  1
  W  W26  1  0.583080  0.625419  0.500639  1
  W  W27  1  0.665801  0.750818  0.501385  1
  W  W28  1  0.748750  0.875915  0.503146  1
  W  W29  1  0.333659  0.000931  0.499910  1
  W  W30  1  0.416682  0.125573  0.500047  1
  W  W31  1  0.499826  0.250390  0.499987  1
  W  W32  1  0.583107  0.375221  0.500073  1
  W  W33  1  0.666512  0.500053  0.500384  1
  W  W34  1  0.749603  0.625380  0.501424  1
  W  W35  1  0.832237  0.751016  0.508012  1
  W  W36  1  0.915480  0.876395  0.508221  1
  W  W37  1  0.499767  0.000731  0.499789  1
  W  W38  1  0.582868  0.125510  0.499738  1
  W  W39  1  0.666215  0.250086  0.499770  1
  W  W40  1  0.749514  0.374486  0.499950  1
  W  W41  1  0.833208  0.498798  0.499831  1
  W  W42  1  0.913591  0.620797  0.498077  1
  W  W43  1  0.665808  0.000693  0.500333  1
  W  W44  1  0.749203  0.125262  0.499998  1
  W  W45  1  0.832819  0.249610  0.499993  1
  W  W46  1  0.916205  0.373848  0.499684  1
  W  W47  1  0.831968  0.000699  0.501492  1
  W  W48  1  0.916153  0.125032  0.500792  1
  S  S49  1  0.089633  0.797043  0.381770  1
  S  S50  1  0.168221  0.918848  0.387287  1
  S  S51  1  0.083849  0.537382  0.385758  1
  S  S52  1  0.166954  0.666450  0.386372  1
  S  S53  1  0.253201  0.793375  0.386147  1
  S  S54  1  0.334130  0.917968  0.388558  1
  S  S55  1  0.083301  0.290569  0.389348  1
  S  S56  1  0.166990  0.415051  0.388711  1
  S  S57  1  0.250173  0.541191  0.388239  1
  S  S58  1  0.333692  0.667042  0.388256  1
  S  S59  1  0.417567  0.792480  0.388590  1
  S  S60  1  0.500177  0.917469  0.388903  1
  S  S61  1  0.082816  0.041712  0.390590  1
  S  S62  1  0.166567  0.166440  0.389876  1
  S  S63  1  0.250062  0.291232  0.389535  1
  S  S64  1  0.333352  0.416583  0.389354  1
  S  S65  1  0.416717  0.541915  0.389338  1
  S  S66  1  0.500182  0.667127  0.389484  1
  S  S67  1  0.583554  0.792381  0.389646  1
  S  S68  1  0.666656  0.917059  0.390203  1
  S  S69  1  0.250150  0.042526  0.389515  1
  S  S70  1  0.333299  0.167050  0.389474  1
  S  S71  1  0.416496  0.292010  0.389443  1
  S  S72  1  0.499842  0.417035  0.389504  1
  S  S73  1  0.583322  0.542103  0.389879  1
  S  S74  1  0.666589  0.667312  0.390493  1
  S  S75  1  0.751061  0.792182  0.393266  1
  S  S76  1  0.833489  0.916151  0.393278  1
  S  S77  1  0.416694  0.042498  0.388993  1
  S  S78  1  0.499712  0.167231  0.389043  1
  S  S79  1  0.583025  0.292039  0.389150  1
  S  S80  1  0.666421  0.416869  0.389442  1
  S  S81  1  0.749731  0.542098  0.390067  1
  S  S82  1  0.832604  0.668803  0.392353  1
  S  S83  1  0.923538  0.788735  0.407391  1
  S  S84  1  0.997357  0.917042  0.392528  1
  S  S85  1  0.583016  0.042199  0.388976  1
  S  S86  1  0.666215  0.166893  0.388898  1
  S  S87  1  0.749633  0.291361  0.389050  1
  S  S88  1  0.832724  0.415660  0.389066  1
  S  S89  1  0.915584  0.538544  0.386761  1
  S  S90  1  0.998367  0.657521  0.380232  1
  S  S91  1  0.749449  0.041763  0.389560  1
  S  S92  1  0.833010  0.166328  0.389451  1
  S  S93  1  0.916381  0.290648  0.389173  1
  S  S94  1  0.999696  0.414547  0.388386  1
  S  S95  1  0.915972  0.041661  0.390627  1
  S  S96  1  0.999800  0.166091  0.389959  1
  S  S97  1  0.081874  0.792921  0.601270  1
  S  S98  1  0.168415  0.917418  0.611487  1
  S  S99  1  0.083199  0.540164  0.608727  1
  S  S100  1  0.164709  0.667342  0.604865  1
  S  S101  1  0.250320  0.792324  0.609040  1
  S  S102  1  0.333678  0.917366  0.610164  1
  S  S103  1  0.083188  0.291087  0.610991  1
  S  S104  1  0.166608  0.415919  0.610389  1
  S  S105  1  0.249357  0.542155  0.609302  1
  S  S106  1  0.332305  0.667110  0.609297  1
  S  S107  1  0.416561  0.792414  0.610253  1
  S  S108  1  0.499518  0.917518  0.610748  1
  S  S109  1  0.083702  0.042003  0.611765  1
  S  S110  1  0.166779  0.166641  0.611460  1
  S  S111  1  0.250074  0.291485  0.611176  1
  S  S112  1  0.333176  0.416922  0.610771  1
  S  S113  1  0.416258  0.542142  0.610499  1
  S  S114  1  0.499439  0.667224  0.610761  1
  S  S115  1  0.582384  0.792511  0.611354  1
  S  S116  1  0.664986  0.917881  0.612078  1
  S  S117  1  0.250546  0.042200  0.611296  1
  S  S118  1  0.333611  0.167007  0.611231  1
  S  S119  1  0.416708  0.291992  0.610992  1
  S  S120  1  0.499893  0.416975  0.610916  1
  S  S121  1  0.583172  0.541911  0.611048  1
  S  S122  1  0.666063  0.667017  0.611834  1
  S  S123  1  0.746925  0.792778  0.614499  1
  S  S124  1  0.830672  0.918948  0.614731  1
  S  S125  1  0.416757  0.042330  0.610819  1
  S  S126  1  0.499896  0.167175  0.610760  1
  S  S127  1  0.583148  0.291918  0.610698  1
  S  S128  1  0.666507  0.416622  0.610819  1
  S  S129  1  0.750005  0.541269  0.611058  1
  S  S130  1  0.833920  0.665484  0.612311  1
  S  S131  1  0.908063  0.796391  0.623833  1
  S  S132  1  0.001096  0.917724  0.613338  1
  S  S133  1  0.582637  0.042451  0.610789  1
  S  S134  1  0.666028  0.167008  0.610634  1
  S  S135  1  0.749523  0.291359  0.610698  1
  S  S136  1  0.833029  0.415725  0.610647  1
  S  S137  1  0.916971  0.539302  0.610592  1
  S  S138  1  0.998650  0.664995  0.601922  1
  S  S139  1  0.748670  0.042536  0.611446  1
  S  S140  1  0.832550  0.166669  0.611014  1
  S  S141  1  0.916238  0.290995  0.610823  1
  S  S142  1  0.999819  0.415461  0.610030  1
  S  S143  1  0.915742  0.042298  0.612232  1
  S  S144  1  0.999728  0.166477  0.611421  1
