# generated using pymatgen
data_RuW47S96
_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   RuW47S96
_chemical_formula_sum   'Ru1 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
  Ru  Ru1  1  0.000000  0.749997  0.500000  1
  W  W2  1  0.084249  0.876879  0.500000  1
  W  W3  1  0.000000  0.499401  0.500000  1
  W  W4  1  0.084736  0.623383  0.500000  1
  W  W5  1  0.168980  0.749775  0.500000  1
  W  W6  1  0.250558  0.875318  0.500000  1
  W  W7  1  0.000000  0.249820  0.500000  1
  W  W8  1  0.083404  0.374640  0.500000  1
  W  W9  1  0.166405  0.499742  0.500000  1
  W  W10  1  0.250199  0.624921  0.500000  1
  W  W11  1  0.333430  0.750353  0.500000  1
  W  W12  1  0.416909  0.875197  0.500000  1
  W  W13  1  0.000000  0.000173  0.500000  1
  W  W14  1  0.083432  0.124999  0.500000  1
  W  W15  1  0.166718  0.249854  0.500000  1
  W  W16  1  0.250030  0.374845  0.500000  1
  W  W17  1  0.333371  0.499902  0.500000  1
  W  W18  1  0.416767  0.625091  0.500000  1
  W  W19  1  0.500000  0.750138  0.500000  1
  W  W20  1  0.583091  0.875197  0.500000  1
  W  W21  1  0.167033  -0.000079  0.500000  1
  W  W22  1  0.250119  0.125048  0.500000  1
  W  W23  1  0.333354  0.249975  0.500000  1
  W  W24  1  0.416660  0.374971  0.500000  1
  W  W25  1  0.500000  0.500053  0.500000  1
  W  W26  1  0.583233  0.625091  0.500000  1
  W  W27  1  0.666570  0.750353  0.500000  1
  W  W28  1  0.749442  0.875318  0.500000  1
  W  W29  1  0.333572  0.000236  0.500000  1
  W  W30  1  0.416738  0.125098  0.500000  1
  W  W31  1  0.500000  0.250014  0.500000  1
  W  W32  1  0.583340  0.374971  0.500000  1
  W  W33  1  0.666629  0.499902  0.500000  1
  W  W34  1  0.749801  0.624921  0.500000  1
  W  W35  1  0.831020  0.749775  0.500000  1
  W  W36  1  0.915751  0.876879  0.500000  1
  W  W37  1  0.500000  0.000136  0.500000  1
  W  W38  1  0.583262  0.125098  0.500000  1
  W  W39  1  0.666646  0.249975  0.500000  1
  W  W40  1  0.749970  0.374845  0.500000  1
  W  W41  1  0.833595  0.499742  0.500000  1
  W  W42  1  0.915264  0.623383  0.500000  1
  W  W43  1  0.666428  0.000236  0.500000  1
  W  W44  1  0.749881  0.125048  0.500000  1
  W  W45  1  0.833282  0.249854  0.500000  1
  W  W46  1  0.916596  0.374640  0.500000  1
  W  W47  1  0.832967  -0.000079  0.500000  1
  W  W48  1  0.916568  0.124999  0.500000  1
  S  S49  1  0.083380  0.791710  0.391292  1
  S  S50  1  0.167481  0.916886  0.388625  1
  S  S51  1  0.083132  0.540942  0.388637  1
  S  S52  1  0.166937  0.666545  0.389484  1
  S  S53  1  0.250607  0.792195  0.388625  1
  S  S54  1  0.333776  0.916958  0.389240  1
  S  S55  1  0.083366  0.291431  0.389235  1
  S  S56  1  0.166664  0.416471  0.389274  1
  S  S57  1  0.250026  0.541514  0.389317  1
  S  S58  1  0.333491  0.666763  0.389298  1
  S  S59  1  0.416774  0.791833  0.389245  1
  S  S60  1  0.500000  0.916841  0.389153  1
  S  S61  1  0.083475  0.041728  0.389288  1
  S  S62  1  0.166736  0.166587  0.389256  1
  S  S63  1  0.250003  0.291574  0.389261  1
  S  S64  1  0.333320  0.416607  0.389293  1
  S  S65  1  0.416644  0.541726  0.389334  1
  S  S66  1  0.500000  0.666794  0.389285  1
  S  S67  1  0.583226  0.791833  0.389245  1
  S  S68  1  0.666224  0.916958  0.389240  1
  S  S69  1  0.250156  0.041743  0.389246  1
  S  S70  1  0.333389  0.166685  0.389253  1
  S  S71  1  0.416664  0.291662  0.389272  1
  S  S72  1  0.500000  0.416692  0.389312  1
  S  S73  1  0.583356  0.541726  0.389334  1
  S  S74  1  0.666509  0.666763  0.389298  1
  S  S75  1  0.749393  0.792195  0.388625  1
  S  S76  1  0.832519  0.916885  0.388625  1
  S  S77  1  0.416769  0.041816  0.389205  1
  S  S78  1  0.500000  0.166731  0.389234  1
  S  S79  1  0.583336  0.291662  0.389272  1
  S  S80  1  0.666680  0.416607  0.389293  1
  S  S81  1  0.749974  0.541514  0.389317  1
  S  S82  1  0.833063  0.666545  0.389484  1
  S  S83  1  0.916620  0.791710  0.391292  1
  S  S84  1  0.000000  0.916923  0.389457  1
  S  S85  1  0.583231  0.041816  0.389205  1
  S  S86  1  0.666611  0.166685  0.389253  1
  S  S87  1  0.749997  0.291574  0.389261  1
  S  S88  1  0.833336  0.416471  0.389274  1
  S  S89  1  0.916868  0.540942  0.388637  1
  S  S90  1  0.000000  0.666615  0.391280  1
  S  S91  1  0.749844  0.041743  0.389246  1
  S  S92  1  0.833264  0.166587  0.389256  1
  S  S93  1  0.916634  0.291431  0.389235  1
  S  S94  1  0.000000  0.416129  0.389274  1
  S  S95  1  0.916525  0.041727  0.389288  1
  S  S96  1  0.000000  0.166530  0.389305  1
  S  S97  1  0.083380  0.791710  0.608708  1
  S  S98  1  0.167481  0.916886  0.611375  1
  S  S99  1  0.083132  0.540942  0.611363  1
  S  S100  1  0.166937  0.666545  0.610516  1
  S  S101  1  0.250607  0.792195  0.611375  1
  S  S102  1  0.333776  0.916958  0.610760  1
  S  S103  1  0.083366  0.291431  0.610765  1
  S  S104  1  0.166664  0.416471  0.610726  1
  S  S105  1  0.250026  0.541514  0.610683  1
  S  S106  1  0.333491  0.666763  0.610702  1
  S  S107  1  0.416774  0.791833  0.610755  1
  S  S108  1  0.500000  0.916841  0.610847  1
  S  S109  1  0.083475  0.041728  0.610712  1
  S  S110  1  0.166736  0.166587  0.610744  1
  S  S111  1  0.250003  0.291574  0.610739  1
  S  S112  1  0.333320  0.416607  0.610707  1
  S  S113  1  0.416644  0.541726  0.610666  1
  S  S114  1  0.500000  0.666794  0.610715  1
  S  S115  1  0.583226  0.791833  0.610755  1
  S  S116  1  0.666224  0.916958  0.610760  1
  S  S117  1  0.250156  0.041743  0.610753  1
  S  S118  1  0.333389  0.166685  0.610747  1
  S  S119  1  0.416664  0.291662  0.610728  1
  S  S120  1  0.500000  0.416692  0.610688  1
  S  S121  1  0.583356  0.541726  0.610666  1
  S  S122  1  0.666509  0.666763  0.610702  1
  S  S123  1  0.749393  0.792195  0.611375  1
  S  S124  1  0.832519  0.916885  0.611375  1
  S  S125  1  0.416769  0.041816  0.610795  1
  S  S126  1  0.500000  0.166731  0.610766  1
  S  S127  1  0.583336  0.291662  0.610728  1
  S  S128  1  0.666680  0.416607  0.610707  1
  S  S129  1  0.749974  0.541514  0.610683  1
  S  S130  1  0.833063  0.666545  0.610516  1
  S  S131  1  0.916620  0.791710  0.608708  1
  S  S132  1  0.000000  0.916923  0.610543  1
  S  S133  1  0.583231  0.041816  0.610795  1
  S  S134  1  0.666611  0.166685  0.610747  1
  S  S135  1  0.749997  0.291574  0.610739  1
  S  S136  1  0.833336  0.416471  0.610726  1
  S  S137  1  0.916868  0.540942  0.611363  1
  S  S138  1  0.000000  0.666615  0.608720  1
  S  S139  1  0.749844  0.041743  0.610754  1
  S  S140  1  0.833264  0.166587  0.610744  1
  S  S141  1  0.916634  0.291431  0.610765  1
  S  S142  1  0.000000  0.416129  0.610726  1
  S  S143  1  0.916525  0.041728  0.610712  1
  S  S144  1  -0.000000  0.166530  0.610695  1
