# 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  0.750009  0.500000  1
  W  W2  1  0.083980  0.875261  0.500000  1
  W  W3  1  0.000000  0.499886  0.500000  1
  W  W4  1  0.083295  0.624381  0.500000  1
  W  W5  1  0.167270  0.750317  0.500000  1
  W  W6  1  0.250151  0.875036  0.500000  1
  W  W7  1  -0.000000  0.250189  0.500000  1
  W  W8  1  0.083370  0.375153  0.500000  1
  W  W9  1  0.166888  0.500158  0.500000  1
  W  W10  1  0.249898  0.625017  0.500000  1
  W  W11  1  0.333304  0.749700  0.500000  1
  W  W12  1  0.416632  0.874837  0.500000  1
  W  W13  1  -0.000000  -0.000071  0.500000  1
  W  W14  1  0.083298  0.125132  0.500000  1
  W  W15  1  0.166665  0.250139  0.500000  1
  W  W16  1  0.250079  0.375087  0.500000  1
  W  W17  1  0.333398  0.499975  0.500000  1
  W  W18  1  0.416695  0.624869  0.500000  1
  W  W19  1  0.500000  0.749742  0.500000  1
  W  W20  1  0.583368  0.874837  0.500000  1
  W  W21  1  0.166404  0.000101  0.500000  1
  W  W22  1  0.249918  0.125081  0.500000  1
  W  W23  1  0.333326  0.250050  0.500000  1
  W  W24  1  0.416689  0.375001  0.500000  1
  W  W25  1  0.500000  0.499916  0.500000  1
  W  W26  1  0.583305  0.624869  0.500000  1
  W  W27  1  0.666696  0.749700  0.500000  1
  W  W28  1  0.749849  0.875036  0.500000  1
  W  W29  1  0.333250  -0.000039  0.500000  1
  W  W30  1  0.416623  0.124982  0.500000  1
  W  W31  1  0.500000  0.250015  0.500000  1
  W  W32  1  0.583311  0.375001  0.500000  1
  W  W33  1  0.666602  0.499975  0.500000  1
  W  W34  1  0.750102  0.625017  0.500000  1
  W  W35  1  0.832730  0.750317  0.500000  1
  W  W36  1  0.916020  0.875261  0.500000  1
  W  W37  1  0.500000  -0.000101  0.500000  1
  W  W38  1  0.583377  0.124982  0.500000  1
  W  W39  1  0.666674  0.250050  0.500000  1
  W  W40  1  0.749921  0.375087  0.500000  1
  W  W41  1  0.833112  0.500158  0.500000  1
  W  W42  1  0.916705  0.624381  0.500000  1
  W  W43  1  0.666750  -0.000039  0.500000  1
  W  W44  1  0.750082  0.125081  0.500000  1
  W  W45  1  0.833335  0.250139  0.500000  1
  W  W46  1  0.916630  0.375153  0.500000  1
  W  W47  1  0.833596  0.000101  0.500000  1
  W  W48  1  0.916702  0.125132  0.500000  1
  S  S49  1  0.082859  0.791412  0.391238  1
  S  S50  1  0.167055  0.916808  0.389005  1
  S  S51  1  0.083290  0.541312  0.388997  1
  S  S52  1  0.166530  0.666726  0.389213  1
  S  S53  1  0.250343  0.791859  0.389006  1
  S  S54  1  0.333448  0.916690  0.389158  1
  S  S55  1  0.083358  0.291794  0.389208  1
  S  S56  1  0.166760  0.416759  0.389233  1
  S  S57  1  0.250169  0.541671  0.389153  1
  S  S58  1  0.333381  0.666479  0.389163  1
  S  S59  1  0.416668  0.791494  0.389254  1
  S  S60  1  0.500000  0.916547  0.389256  1
  S  S61  1  0.083225  0.041820  0.389174  1
  S  S62  1  0.166653  0.166791  0.389198  1
  S  S63  1  0.250028  0.291739  0.389204  1
  S  S64  1  0.333401  0.416645  0.389164  1
  S  S65  1  0.416727  0.541561  0.389172  1
  S  S66  1  0.500000  0.666507  0.389137  1
  S  S67  1  0.583332  0.791494  0.389254  1
  S  S68  1  0.666552  0.916690  0.389158  1
  S  S69  1  0.249896  0.041712  0.389267  1
  S  S70  1  0.333308  0.166697  0.389222  1
  S  S71  1  0.416679  0.291666  0.389199  1
  S  S72  1  0.500000  0.416614  0.389167  1
  S  S73  1  0.583273  0.541561  0.389172  1
  S  S74  1  0.666619  0.666479  0.389163  1
  S  S75  1  0.749657  0.791859  0.389006  1
  S  S76  1  0.832945  0.916808  0.389005  1
  S  S77  1  0.416642  0.041639  0.389247  1
  S  S78  1  0.500000  0.166659  0.389243  1
  S  S79  1  0.583321  0.291666  0.389199  1
  S  S80  1  0.666599  0.416645  0.389164  1
  S  S81  1  0.749831  0.541671  0.389153  1
  S  S82  1  0.833470  0.666726  0.389213  1
  S  S83  1  0.917141  0.791412  0.391238  1
  S  S84  1  -0.000000  0.916528  0.389231  1
  S  S85  1  0.583358  0.041639  0.389247  1
  S  S86  1  0.666692  0.166697  0.389222  1
  S  S87  1  0.749972  0.291739  0.389204  1
  S  S88  1  0.833240  0.416759  0.389233  1
  S  S89  1  0.916710  0.541312  0.388997  1
  S  S90  1  0.000000  0.667139  0.391245  1
  S  S91  1  0.750104  0.041712  0.389267  1
  S  S92  1  0.833347  0.166791  0.389198  1
  S  S93  1  0.916642  0.291794  0.389208  1
  S  S94  1  -0.000000  0.416600  0.389126  1
  S  S95  1  0.916775  0.041820  0.389174  1
  S  S96  1  -0.000000  0.166841  0.389208  1
  S  S97  1  0.082859  0.791412  0.608762  1
  S  S98  1  0.167055  0.916808  0.610995  1
  S  S99  1  0.083290  0.541312  0.611003  1
  S  S100  1  0.166530  0.666726  0.610787  1
  S  S101  1  0.250343  0.791859  0.610994  1
  S  S102  1  0.333448  0.916690  0.610842  1
  S  S103  1  0.083358  0.291794  0.610792  1
  S  S104  1  0.166760  0.416759  0.610767  1
  S  S105  1  0.250169  0.541671  0.610847  1
  S  S106  1  0.333381  0.666479  0.610837  1
  S  S107  1  0.416668  0.791494  0.610746  1
  S  S108  1  0.500000  0.916547  0.610744  1
  S  S109  1  0.083225  0.041820  0.610826  1
  S  S110  1  0.166653  0.166791  0.610802  1
  S  S111  1  0.250028  0.291739  0.610796  1
  S  S112  1  0.333401  0.416645  0.610836  1
  S  S113  1  0.416727  0.541561  0.610828  1
  S  S114  1  0.500000  0.666507  0.610863  1
  S  S115  1  0.583332  0.791494  0.610746  1
  S  S116  1  0.666552  0.916690  0.610842  1
  S  S117  1  0.249896  0.041712  0.610733  1
  S  S118  1  0.333308  0.166697  0.610778  1
  S  S119  1  0.416679  0.291666  0.610801  1
  S  S120  1  0.500000  0.416614  0.610833  1
  S  S121  1  0.583273  0.541561  0.610828  1
  S  S122  1  0.666619  0.666479  0.610837  1
  S  S123  1  0.749657  0.791859  0.610994  1
  S  S124  1  0.832945  0.916808  0.610995  1
  S  S125  1  0.416642  0.041639  0.610753  1
  S  S126  1  0.500000  0.166659  0.610757  1
  S  S127  1  0.583321  0.291666  0.610801  1
  S  S128  1  0.666599  0.416645  0.610836  1
  S  S129  1  0.749831  0.541671  0.610847  1
  S  S130  1  0.833470  0.666726  0.610787  1
  S  S131  1  0.917141  0.791412  0.608762  1
  S  S132  1  -0.000000  0.916528  0.610769  1
  S  S133  1  0.583358  0.041639  0.610753  1
  S  S134  1  0.666692  0.166697  0.610778  1
  S  S135  1  0.749972  0.291739  0.610796  1
  S  S136  1  0.833240  0.416759  0.610767  1
  S  S137  1  0.916710  0.541312  0.611003  1
  S  S138  1  0.000000  0.667139  0.608755  1
  S  S139  1  0.750104  0.041712  0.610733  1
  S  S140  1  0.833347  0.166791  0.610802  1
  S  S141  1  0.916642  0.291794  0.610792  1
  S  S142  1  -0.000000  0.416600  0.610874  1
  S  S143  1  0.916775  0.041820  0.610826  1
  S  S144  1  -0.000000  0.166841  0.610792  1
