# 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  0.738286  0.500001  1
  W  W2  1  0.084727  0.879769  0.499999  1
  W  W3  1  0.000000  0.497383  0.500004  1
  W  W4  1  0.084195  0.624206  0.500002  1
  W  W5  1  0.168901  0.749385  0.499999  1
  W  W6  1  0.249587  0.875792  0.499996  1
  W  W7  1  0.000000  0.249477  0.500001  1
  W  W8  1  0.083074  0.374684  0.500002  1
  W  W9  1  0.167059  0.499312  0.500003  1
  W  W10  1  0.248915  0.625573  0.500002  1
  W  W11  1  0.331862  0.750990  0.499998  1
  W  W12  1  0.416486  0.875758  0.499997  1
  W  W13  1  0.000000  0.000531  0.500000  1
  W  W14  1  0.083968  0.125615  0.499999  1
  W  W15  1  0.167665  0.249204  0.500000  1
  W  W16  1  0.250746  0.375255  0.500000  1
  W  W17  1  0.332833  0.499493  0.500001  1
  W  W18  1  0.416651  0.626000  0.500000  1
  W  W19  1  0.500000  0.750088  0.499997  1
  W  W20  1  0.583515  0.875758  0.499999  1
  W  W21  1  0.167729  -0.000661  0.499998  1
  W  W22  1  0.250174  0.125482  0.499998  1
  W  W23  1  0.332806  0.249943  0.500001  1
  W  W24  1  0.415726  0.375650  0.500001  1
  W  W25  1  0.500000  0.500468  0.499999  1
  W  W26  1  0.583350  0.626000  0.499999  1
  W  W27  1  0.668138  0.750990  0.499999  1
  W  W28  1  0.750413  0.875792  0.500000  1
  W  W29  1  0.333043  0.000001  0.499996  1
  W  W30  1  0.416939  0.125852  0.499998  1
  W  W31  1  0.500000  0.249469  0.500000  1
  W  W32  1  0.584274  0.375650  0.500000  1
  W  W33  1  0.667167  0.499493  0.499998  1
  W  W34  1  0.751086  0.625573  0.499999  1
  W  W35  1  0.831100  0.749385  0.500000  1
  W  W36  1  0.915272  0.879770  0.500000  1
  W  W37  1  0.500000  0.000239  0.499998  1
  W  W38  1  0.583061  0.125852  0.499999  1
  W  W39  1  0.667194  0.249943  0.500001  1
  W  W40  1  0.749253  0.375256  0.499999  1
  W  W41  1  0.832941  0.499312  0.500000  1
  W  W42  1  0.915805  0.624206  0.500002  1
  W  W43  1  0.666956  0.000001  0.500000  1
  W  W44  1  0.749826  0.125482  0.500001  1
  W  W45  1  0.832334  0.249205  0.500000  1
  W  W46  1  0.916926  0.374684  0.500000  1
  W  W47  1  0.832271  -0.000662  0.500001  1
  W  W48  1  0.916032  0.125615  0.500000  1
  S  S49  1  0.079212  0.791287  0.395828  1
  S  S50  1  0.167635  0.917053  0.386988  1
  S  S51  1  0.083278  0.540532  0.390021  1
  S  S52  1  0.166231  0.666827  0.388883  1
  S  S53  1  0.249406  0.792660  0.388136  1
  S  S54  1  0.333336  0.916850  0.389192  1
  S  S55  1  0.083854  0.291144  0.389722  1
  S  S56  1  0.166802  0.415998  0.389254  1
  S  S57  1  0.249947  0.542010  0.389287  1
  S  S58  1  0.332754  0.667085  0.389540  1
  S  S59  1  0.416160  0.792106  0.389846  1
  S  S60  1  0.500000  0.916995  0.389405  1
  S  S61  1  0.083901  0.042128  0.389720  1
  S  S62  1  0.167084  0.166402  0.388771  1
  S  S63  1  0.250081  0.291904  0.389038  1
  S  S64  1  0.333238  0.416815  0.388591  1
  S  S65  1  0.416226  0.542251  0.389910  1
  S  S66  1  0.500000  0.667147  0.389334  1
  S  S67  1  0.583840  0.792106  0.389845  1
  S  S68  1  0.666664  0.916850  0.389190  1
  S  S69  1  0.250237  0.042033  0.389329  1
  S  S70  1  0.333458  0.166781  0.388931  1
  S  S71  1  0.416538  0.291893  0.389805  1
  S  S72  1  0.500000  0.416867  0.389903  1
  S  S73  1  0.583775  0.542251  0.389911  1
  S  S74  1  0.667245  0.667084  0.389541  1
  S  S75  1  0.750595  0.792659  0.388136  1
  S  S76  1  0.832365  0.917053  0.386986  1
  S  S77  1  0.416459  0.042140  0.389664  1
  S  S78  1  0.500000  0.166807  0.388874  1
  S  S79  1  0.583462  0.291893  0.389806  1
  S  S80  1  0.666762  0.416815  0.388593  1
  S  S81  1  0.750053  0.542010  0.389289  1
  S  S82  1  0.833769  0.666827  0.388883  1
  S  S83  1  0.920787  0.791288  0.395826  1
  S  S84  1  0.000000  0.917905  0.389536  1
  S  S85  1  0.583541  0.042140  0.389663  1
  S  S86  1  0.666541  0.166782  0.388929  1
  S  S87  1  0.749919  0.291904  0.389040  1
  S  S88  1  0.833198  0.415998  0.389256  1
  S  S89  1  0.916721  0.540532  0.390022  1
  S  S90  1  0.000000  0.660728  0.385118  1
  S  S91  1  0.749763  0.042033  0.389327  1
  S  S92  1  0.832916  0.166403  0.388770  1
  S  S93  1  0.916146  0.291144  0.389723  1
  S  S94  1  -0.000000  0.415123  0.388488  1
  S  S95  1  0.916099  0.042128  0.389719  1
  S  S96  1  -0.000000  0.166371  0.389472  1
  S  S97  1  0.079212  0.791287  0.604174  1
  S  S98  1  0.167636  0.917053  0.613014  1
  S  S99  1  0.083279  0.540532  0.609979  1
  S  S100  1  0.166232  0.666827  0.611117  1
  S  S101  1  0.249405  0.792659  0.611867  1
  S  S102  1  0.333336  0.916850  0.610813  1
  S  S103  1  0.083855  0.291143  0.610278  1
  S  S104  1  0.166803  0.415998  0.610744  1
  S  S105  1  0.249948  0.542009  0.610710  1
  S  S106  1  0.332755  0.667084  0.610460  1
  S  S107  1  0.416160  0.792105  0.610157  1
  S  S108  1  0.500000  0.916996  0.610597  1
  S  S109  1  0.083901  0.042129  0.610282  1
  S  S110  1  0.167084  0.166402  0.611230  1
  S  S111  1  0.250081  0.291905  0.610960  1
  S  S112  1  0.333239  0.416817  0.611402  1
  S  S113  1  0.416226  0.542250  0.610086  1
  S  S114  1  0.500000  0.667147  0.610665  1
  S  S115  1  0.583841  0.792105  0.610157  1
  S  S116  1  0.666665  0.916851  0.610810  1
  S  S117  1  0.250237  0.042033  0.610674  1
  S  S118  1  0.333459  0.166782  0.611070  1
  S  S119  1  0.416539  0.291894  0.610194  1
  S  S120  1  0.500000  0.416868  0.610096  1
  S  S121  1  0.583774  0.542250  0.610087  1
  S  S122  1  0.667245  0.667084  0.610460  1
  S  S123  1  0.750595  0.792659  0.611866  1
  S  S124  1  0.832364  0.917053  0.613013  1
  S  S125  1  0.416459  0.042140  0.610339  1
  S  S126  1  0.500000  0.166807  0.611126  1
  S  S127  1  0.583461  0.291894  0.610195  1
  S  S128  1  0.666761  0.416817  0.611404  1
  S  S129  1  0.750052  0.542009  0.610711  1
  S  S130  1  0.833768  0.666827  0.611117  1
  S  S131  1  0.920787  0.791288  0.604174  1
  S  S132  1  -0.000000  0.917905  0.610467  1
  S  S133  1  0.583542  0.042140  0.610338  1
  S  S134  1  0.666541  0.166782  0.611070  1
  S  S135  1  0.749919  0.291904  0.610962  1
  S  S136  1  0.833197  0.415998  0.610746  1
  S  S137  1  0.916722  0.540532  0.609980  1
  S  S138  1  0.000000  0.660728  0.614884  1
  S  S139  1  0.749763  0.042034  0.610671  1
  S  S140  1  0.832915  0.166402  0.611229  1
  S  S141  1  0.916145  0.291143  0.610279  1
  S  S142  1  0.000000  0.415123  0.611514  1
  S  S143  1  0.916099  0.042129  0.610281  1
  S  S144  1  -0.000000  0.166371  0.610524  1
