# 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  -0.000002  0.736806  0.499999  1
  W  W2  1  0.081622  0.880357  0.500000  1
  W  W3  1  0.000000  0.498133  0.500002  1
  W  W4  1  0.082201  0.622365  0.500001  1
  W  W5  1  0.164444  0.750673  0.500000  1
  W  W6  1  0.248747  0.875308  0.500000  1
  W  W7  1  -0.000000  0.250160  0.500004  1
  W  W8  1  0.083568  0.374440  0.500003  1
  W  W9  1  0.167268  0.499034  0.500003  1
  W  W10  1  0.249096  0.625005  0.500001  1
  W  W11  1  0.332082  0.750200  0.500001  1
  W  W12  1  0.416404  0.875018  0.500001  1
  W  W13  1  0.000001  0.002591  0.500004  1
  W  W14  1  0.083708  0.126051  0.500004  1
  W  W15  1  0.167111  0.250198  0.500003  1
  W  W16  1  0.250460  0.374800  0.500003  1
  W  W17  1  0.333337  0.500228  0.500002  1
  W  W18  1  0.416434  0.625333  0.500002  1
  W  W19  1  0.500000  0.750118  0.500002  1
  W  W20  1  0.583597  0.875018  0.500001  1
  W  W21  1  0.167038  0.000393  0.500002  1
  W  W22  1  0.250363  0.125305  0.500004  1
  W  W23  1  0.333650  0.250104  0.500004  1
  W  W24  1  0.416818  0.375218  0.500003  1
  W  W25  1  0.499999  0.500311  0.500003  1
  W  W26  1  0.583566  0.625333  0.500001  1
  W  W27  1  0.667919  0.750200  0.500001  1
  W  W28  1  0.751255  0.875307  0.500001  1
  W  W29  1  0.333224  0.000203  0.500002  1
  W  W30  1  0.416823  0.125076  0.500004  1
  W  W31  1  0.500000  0.250127  0.500004  1
  W  W32  1  0.583181  0.375218  0.500003  1
  W  W33  1  0.666662  0.500228  0.500002  1
  W  W34  1  0.750904  0.625004  0.500000  1
  W  W35  1  0.835555  0.750673  0.500000  1
  W  W36  1  0.918378  0.880357  0.500000  1
  W  W37  1  0.500001  -0.000051  0.500002  1
  W  W38  1  0.583178  0.125075  0.500004  1
  W  W39  1  0.666350  0.250103  0.500004  1
  W  W40  1  0.749539  0.374800  0.500003  1
  W  W41  1  0.832731  0.499033  0.500002  1
  W  W42  1  0.917799  0.622365  0.500001  1
  W  W43  1  0.666778  0.000202  0.500003  1
  W  W44  1  0.749638  0.125304  0.500005  1
  W  W45  1  0.832888  0.250197  0.500003  1
  W  W46  1  0.916430  0.374440  0.500003  1
  W  W47  1  0.832964  0.000391  0.500003  1
  W  W48  1  0.916293  0.126050  0.500004  1
  S  S49  1  0.076817  0.791745  0.395146  1
  S  S50  1  0.166421  0.917438  0.387890  1
  S  S51  1  0.083665  0.539363  0.389118  1
  S  S52  1  0.165237  0.666864  0.389731  1
  S  S53  1  0.247948  0.791887  0.389433  1
  S  S54  1  0.332815  0.916652  0.389574  1
  S  S55  1  0.083567  0.291431  0.389132  1
  S  S56  1  0.167092  0.415932  0.389140  1
  S  S57  1  0.249939  0.541715  0.389167  1
  S  S58  1  0.332570  0.666881  0.389509  1
  S  S59  1  0.416045  0.791647  0.389497  1
  S  S60  1  0.500001  0.916561  0.389339  1
  S  S61  1  0.084030  0.043218  0.389178  1
  S  S62  1  0.167204  0.167132  0.389130  1
  S  S63  1  0.250456  0.291656  0.389111  1
  S  S64  1  0.333564  0.416851  0.389240  1
  S  S65  1  0.416629  0.542019  0.389288  1
  S  S66  1  0.500001  0.666928  0.389310  1
  S  S67  1  0.583955  0.791647  0.389496  1
  S  S68  1  0.667187  0.916651  0.389574  1
  S  S69  1  0.250175  0.042009  0.389164  1
  S  S70  1  0.333667  0.166806  0.389194  1
  S  S71  1  0.416829  0.291857  0.389209  1
  S  S72  1  0.499999  0.416974  0.389208  1
  S  S73  1  0.583370  0.542019  0.389288  1
  S  S74  1  0.667430  0.666881  0.389508  1
  S  S75  1  0.752052  0.791886  0.389432  1
  S  S76  1  0.833579  0.917438  0.387888  1
  S  S77  1  0.416695  0.041665  0.389272  1
  S  S78  1  0.500000  0.166771  0.389190  1
  S  S79  1  0.583171  0.291857  0.389208  1
  S  S80  1  0.666434  0.416851  0.389239  1
  S  S81  1  0.750060  0.541714  0.389167  1
  S  S82  1  0.834762  0.666862  0.389730  1
  S  S83  1  0.923182  0.791745  0.395144  1
  S  S84  1  0.000001  0.920811  0.388116  1
  S  S85  1  0.583306  0.041664  0.389272  1
  S  S86  1  0.666333  0.166805  0.389193  1
  S  S87  1  0.749543  0.291655  0.389111  1
  S  S88  1  0.832907  0.415932  0.389139  1
  S  S89  1  0.916334  0.539362  0.389118  1
  S  S90  1  -0.000001  0.660467  0.386263  1
  S  S91  1  0.749827  0.042008  0.389163  1
  S  S92  1  0.832797  0.167131  0.389129  1
  S  S93  1  0.916431  0.291431  0.389132  1
  S  S94  1  -0.000001  0.415395  0.388941  1
  S  S95  1  0.915973  0.043217  0.389178  1
  S  S96  1  0.000000  0.167186  0.389154  1
  S  S97  1  0.076817  0.791744  0.604853  1
  S  S98  1  0.166421  0.917437  0.612108  1
  S  S99  1  0.083665  0.539363  0.610879  1
  S  S100  1  0.165238  0.666863  0.610267  1
  S  S101  1  0.247948  0.791887  0.610567  1
  S  S102  1  0.332814  0.916652  0.610427  1
  S  S103  1  0.083567  0.291431  0.610863  1
  S  S104  1  0.167091  0.415932  0.610857  1
  S  S105  1  0.249939  0.541715  0.610830  1
  S  S106  1  0.332570  0.666881  0.610488  1
  S  S107  1  0.416045  0.791646  0.610504  1
  S  S108  1  0.500001  0.916561  0.610664  1
  S  S109  1  0.084029  0.043218  0.610820  1
  S  S110  1  0.167203  0.167132  0.610868  1
  S  S111  1  0.250456  0.291656  0.610886  1
  S  S112  1  0.333565  0.416851  0.610758  1
  S  S113  1  0.416629  0.542019  0.610708  1
  S  S114  1  0.500001  0.666926  0.610688  1
  S  S115  1  0.583955  0.791646  0.610503  1
  S  S116  1  0.667187  0.916651  0.610426  1
  S  S117  1  0.250174  0.042010  0.610837  1
  S  S118  1  0.333667  0.166807  0.610806  1
  S  S119  1  0.416829  0.291857  0.610788  1
  S  S120  1  0.499999  0.416975  0.610789  1
  S  S121  1  0.583370  0.542020  0.610708  1
  S  S122  1  0.667430  0.666880  0.610487  1
  S  S123  1  0.752052  0.791886  0.610566  1
  S  S124  1  0.833579  0.917437  0.612108  1
  S  S125  1  0.416695  0.041665  0.610730  1
  S  S126  1  0.500001  0.166772  0.610809  1
  S  S127  1  0.583171  0.291857  0.610788  1
  S  S128  1  0.666434  0.416851  0.610758  1
  S  S129  1  0.750060  0.541714  0.610829  1
  S  S130  1  0.834761  0.666862  0.610266  1
  S  S131  1  0.923182  0.791744  0.604853  1
  S  S132  1  0.000001  0.920811  0.611883  1
  S  S133  1  0.583307  0.041664  0.610729  1
  S  S134  1  0.666334  0.166805  0.610804  1
  S  S135  1  0.749544  0.291655  0.610885  1
  S  S136  1  0.832906  0.415932  0.610858  1
  S  S137  1  0.916334  0.539362  0.610879  1
  S  S138  1  -0.000001  0.660467  0.613734  1
  S  S139  1  0.749828  0.042008  0.610835  1
  S  S140  1  0.832797  0.167131  0.610867  1
  S  S141  1  0.916431  0.291431  0.610863  1
  S  S142  1  -0.000001  0.415395  0.611055  1
  S  S143  1  0.915972  0.043217  0.610820  1
  S  S144  1  0.000000  0.167187  0.610842  1
