# generated using pymatgen
data_RuW48S95
_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   RuW48S95
_chemical_formula_sum   'Ru1 W48 S95'
_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  0.081890  0.792349  0.370865  1
  W  W2  1  0.001553  0.750900  0.506991  1
  W  W3  1  0.083169  0.873294  0.506936  1
  W  W4  1  0.000037  0.500090  0.500262  1
  W  W5  1  0.083332  0.625304  0.503234  1
  W  W6  1  0.165332  0.750637  0.506495  1
  W  W7  1  0.249722  0.874842  0.503093  1
  W  W8  1  0.000047  0.249855  0.498896  1
  W  W9  1  0.083357  0.374988  0.499220  1
  W  W10  1  0.166676  0.500121  0.500217  1
  W  W11  1  0.249496  0.625546  0.500928  1
  W  W12  1  0.332541  0.750126  0.500650  1
  W  W13  1  0.416579  0.874945  0.499909  1
  W  W14  1  0.000280  -0.000741  0.501014  1
  W  W15  1  0.083355  0.124648  0.499418  1
  W  W16  1  0.166662  0.249874  0.498929  1
  W  W17  1  0.249997  0.375029  0.499110  1
  W  W18  1  0.333157  0.500242  0.499223  1
  W  W19  1  0.416417  0.625171  0.499048  1
  W  W20  1  0.499798  0.750039  0.498671  1
  W  W21  1  0.583334  0.874980  0.498942  1
  W  W22  1  0.166521  -0.000521  0.501186  1
  W  W23  1  0.249955  0.124770  0.499366  1
  W  W24  1  0.333307  0.249963  0.499060  1
  W  W25  1  0.416619  0.375097  0.499007  1
  W  W26  1  0.499941  0.500138  0.498697  1
  W  W27  1  0.583337  0.625091  0.498391  1
  W  W28  1  0.666882  0.750036  0.498687  1
  W  W29  1  0.750132  0.874973  0.500117  1
  W  W30  1  0.333269  -0.000089  0.500277  1
  W  W31  1  0.416657  0.124983  0.499364  1
  W  W32  1  0.499983  0.250051  0.499229  1
  W  W33  1  0.583348  0.375084  0.498962  1
  W  W34  1  0.666747  0.500117  0.498681  1
  W  W35  1  0.750259  0.625152  0.499067  1
  W  W36  1  0.834165  0.750142  0.500714  1
  W  W37  1  0.916671  0.874981  0.503540  1
  W  W38  1  0.499999  -0.000013  0.499394  1
  W  W39  1  0.583347  0.125026  0.499339  1
  W  W40  1  0.666711  0.250032  0.499204  1
  W  W41  1  0.750064  0.375044  0.498970  1
  W  W42  1  0.833495  0.500148  0.499238  1
  W  W43  1  0.917067  0.625343  0.501148  1
  W  W44  1  0.666693  -0.000016  0.499445  1
  W  W45  1  0.750046  0.124970  0.499337  1
  W  W46  1  0.833411  0.249911  0.499010  1
  W  W47  1  0.916702  0.374986  0.499094  1
  W  W48  1  0.833433  -0.000120  0.500391  1
  W  W49  1  0.916796  0.124709  0.499269  1
  S  S50  1  0.165147  0.913677  0.393042  1
  S  S51  1  0.083345  0.542650  0.390641  1
  S  S52  1  0.164315  0.669429  0.392426  1
  S  S53  1  0.245907  0.792056  0.392262  1
  S  S54  1  0.332335  0.916238  0.390466  1
  S  S55  1  0.083364  0.291689  0.388247  1
  S  S56  1  0.166624  0.417050  0.388771  1
  S  S57  1  0.249379  0.542541  0.389401  1
  S  S58  1  0.332288  0.667120  0.389389  1
  S  S59  1  0.415476  0.791733  0.388986  1
  S  S60  1  0.499669  0.916649  0.388629  1
  S  S61  1  0.083361  0.040573  0.389658  1
  S  S62  1  0.166633  0.166264  0.388481  1
  S  S63  1  0.250010  0.291656  0.388283  1
  S  S64  1  0.333210  0.416895  0.388411  1
  S  S65  1  0.416315  0.541872  0.388222  1
  S  S66  1  0.499636  0.666747  0.387904  1
  S  S67  1  0.583353  0.791733  0.387997  1
  S  S68  1  0.667070  0.916628  0.388732  1
  S  S69  1  0.249523  0.040806  0.389509  1
  S  S70  1  0.333260  0.166447  0.388548  1
  S  S71  1  0.416664  0.291662  0.388388  1
  S  S72  1  0.499948  0.416677  0.388187  1
  S  S73  1  0.583339  0.541678  0.387814  1
  S  S74  1  0.667056  0.666749  0.387911  1
  S  S75  1  0.751243  0.791783  0.389075  1
  S  S76  1  0.834260  0.916263  0.390609  1
  S  S77  1  0.416376  0.041479  0.388952  1
  S  S78  1  0.499974  0.166641  0.388609  1
  S  S79  1  0.583341  0.291623  0.388456  1
  S  S80  1  0.666740  0.416659  0.388163  1
  S  S81  1  0.750377  0.541849  0.388219  1
  S  S82  1  0.834451  0.667130  0.389460  1
  S  S83  1  0.921090  0.792465  0.392691  1
  S  S84  1  0.001354  0.913041  0.392800  1
  S  S85  1  0.583358  0.041647  0.388645  1
  S  S86  1  0.666710  0.166623  0.388583  1
  S  S87  1  0.750035  0.291617  0.388354  1
  S  S88  1  0.833478  0.416831  0.388388  1
  S  S89  1  0.917287  0.542445  0.389462  1
  S  S90  1  0.002220  0.669258  0.393065  1
  S  S91  1  0.750346  0.041440  0.389004  1
  S  S92  1  0.833456  0.166393  0.388487  1
  S  S93  1  0.916699  0.291629  0.388243  1
  S  S94  1  0.000084  0.417039  0.388789  1
  S  S95  1  0.917210  0.040678  0.389485  1
  S  S96  1  0.000119  0.166244  0.388420  1
  S  S97  1  0.083335  0.791637  0.618731  1
  S  S98  1  0.167341  0.917304  0.614503  1
  S  S99  1  0.083402  0.540836  0.611901  1
  S  S100  1  0.166994  0.666078  0.614659  1
  S  S101  1  0.250804  0.791691  0.614490  1
  S  S102  1  0.334264  0.916941  0.611763  1
  S  S103  1  0.083344  0.291483  0.609649  1
  S  S104  1  0.166769  0.416353  0.610193  1
  S  S105  1  0.250227  0.541682  0.610720  1
  S  S106  1  0.333574  0.666653  0.610764  1
  S  S107  1  0.416910  0.791454  0.610241  1
  S  S108  1  0.500320  0.916616  0.610063  1
  S  S109  1  0.083322  0.041753  0.611103  1
  S  S110  1  0.166635  0.166642  0.609856  1
  S  S111  1  0.249956  0.291600  0.609689  1
  S  S112  1  0.333350  0.416761  0.609779  1
  S  S113  1  0.416761  0.541795  0.609649  1
  S  S114  1  0.500113  0.666699  0.609288  1
  S  S115  1  0.583335  0.791512  0.609305  1
  S  S116  1  0.666303  0.916617  0.610142  1
  S  S117  1  0.250053  0.041876  0.610865  1
  S  S118  1  0.333284  0.166708  0.609944  1
  S  S119  1  0.416580  0.291772  0.609813  1
  S  S120  1  0.500004  0.416861  0.609586  1
  S  S121  1  0.583351  0.541844  0.609225  1
  S  S122  1  0.666558  0.666683  0.609284  1
  S  S123  1  0.749755  0.791378  0.610281  1
  S  S124  1  0.832218  0.917122  0.612331  1
  S  S125  1  0.416922  0.041813  0.610387  1
  S  S126  1  0.500014  0.166762  0.610041  1
  S  S127  1  0.583358  0.291816  0.609867  1
  S  S128  1  0.666701  0.416835  0.609573  1
  S  S129  1  0.749904  0.541760  0.609654  1
  S  S130  1  0.833060  0.666631  0.610862  1
  S  S131  1  0.915642  0.791631  0.614732  1
  S  S132  1  -0.000488  0.917313  0.614797  1
  S  S133  1  0.583336  0.041705  0.610092  1
  S  S134  1  0.666698  0.166754  0.610017  1
  S  S135  1  0.750135  0.291715  0.609775  1
  S  S136  1  0.833317  0.416665  0.609776  1
  S  S137  1  0.916396  0.541482  0.610812  1
  S  S138  1  -0.000397  0.665799  0.614597  1
  S  S139  1  0.749768  0.041851  0.610413  1
  S  S140  1  0.833472  0.166638  0.609874  1
  S  S141  1  0.916744  0.291548  0.609661  1
  S  S142  1  -0.000062  0.416316  0.610204  1
  S  S143  1  0.916838  0.041807  0.610746  1
  S  S144  1  0.000053  0.166617  0.609803  1
