# 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  0.083333  0.791661  0.374008  1
  W  W2  1  0.001258  0.750661  0.506944  1
  W  W3  1  0.083333  0.873722  0.506946  1
  W  W4  1  -0.000075  0.500230  0.500215  1
  W  W5  1  0.083333  0.625229  0.503404  1
  W  W6  1  0.165409  0.750661  0.506943  1
  W  W7  1  0.249828  0.874891  0.503273  1
  W  W8  1  0.000024  0.249977  0.498893  1
  W  W9  1  0.083333  0.375159  0.499208  1
  W  W10  1  0.166742  0.500231  0.500215  1
  W  W11  1  0.249638  0.625454  0.500922  1
  W  W12  1  0.332785  0.750074  0.500692  1
  W  W13  1  0.416601  0.874806  0.499892  1
  W  W14  1  0.000215  -0.000503  0.500947  1
  W  W15  1  0.083333  0.124712  0.499361  1
  W  W16  1  0.166643  0.249977  0.498893  1
  W  W17  1  0.249994  0.375125  0.499103  1
  W  W18  1  0.333235  0.500297  0.499229  1
  W  W19  1  0.416432  0.625166  0.499052  1
  W  W20  1  0.499844  0.749919  0.498654  1
  W  W21  1  0.583333  0.874815  0.498853  1
  W  W22  1  0.166451  -0.000503  0.500947  1
  W  W23  1  0.249814  0.124780  0.499267  1
  W  W24  1  0.333260  0.249949  0.499069  1
  W  W25  1  0.416604  0.375123  0.499070  1
  W  W26  1  0.499955  0.500146  0.498728  1
  W  W27  1  0.583333  0.625083  0.498380  1
  W  W28  1  0.666822  0.749919  0.498654  1
  W  W29  1  0.750066  0.874806  0.499892  1
  W  W30  1  0.333154  -0.000091  0.500174  1
  W  W31  1  0.416577  0.124897  0.499336  1
  W  W32  1  0.499949  0.249986  0.499326  1
  W  W33  1  0.583333  0.375101  0.499085  1
  W  W34  1  0.666712  0.500146  0.498728  1
  W  W35  1  0.750234  0.625166  0.499051  1
  W  W36  1  0.833882  0.750074  0.500692  1
  W  W37  1  0.916839  0.874891  0.503273  1
  W  W38  1  0.499915  -0.000178  0.499321  1
  W  W39  1  0.583333  0.124881  0.499362  1
  W  W40  1  0.666717  0.249985  0.499326  1
  W  W41  1  0.750063  0.375123  0.499070  1
  W  W42  1  0.833431  0.500296  0.499228  1
  W  W43  1  0.917029  0.625454  0.500922  1
  W  W44  1  0.666752  -0.000178  0.499320  1
  W  W45  1  0.750090  0.124897  0.499335  1
  W  W46  1  0.833406  0.249949  0.499069  1
  W  W47  1  0.916673  0.375124  0.499103  1
  W  W48  1  0.833512  -0.000090  0.500173  1
  W  W49  1  0.916852  0.124780  0.499266  1
  S  S50  1  0.165538  0.913916  0.392488  1
  S  S51  1  0.083333  0.542641  0.390689  1
  S  S52  1  0.164457  0.668895  0.392537  1
  S  S53  1  0.246662  0.792227  0.392404  1
  S  S54  1  0.332403  0.916209  0.390510  1
  S  S55  1  0.083333  0.291813  0.388309  1
  S  S56  1  0.166633  0.417188  0.388776  1
  S  S57  1  0.249491  0.542525  0.389355  1
  S  S58  1  0.332404  0.667092  0.389339  1
  S  S59  1  0.415604  0.791636  0.388922  1
  S  S60  1  0.499627  0.916478  0.388551  1
  S  S61  1  0.083333  0.040768  0.389555  1
  S  S62  1  0.166561  0.166358  0.388437  1
  S  S63  1  0.249998  0.291739  0.388358  1
  S  S64  1  0.333238  0.416950  0.388481  1
  S  S65  1  0.416351  0.541894  0.388242  1
  S  S66  1  0.499646  0.666687  0.387856  1
  S  S67  1  0.583333  0.791598  0.387902  1
  S  S68  1  0.667039  0.916477  0.388551  1
  S  S69  1  0.249458  0.040856  0.389349  1
  S  S70  1  0.333194  0.166421  0.388561  1
  S  S71  1  0.416660  0.291648  0.388573  1
  S  S72  1  0.499952  0.416687  0.388344  1
  S  S73  1  0.583333  0.541687  0.387879  1
  S  S74  1  0.667020  0.666687  0.387856  1
  S  S75  1  0.751062  0.791635  0.388921  1
  S  S76  1  0.834263  0.916209  0.390510  1
  S  S77  1  0.416308  0.041381  0.388889  1
  S  S78  1  0.499959  0.166552  0.388754  1
  S  S79  1  0.583333  0.291593  0.388708  1
  S  S80  1  0.666715  0.416687  0.388344  1
  S  S81  1  0.750316  0.541894  0.388242  1
  S  S82  1  0.834263  0.667092  0.389339  1
  S  S83  1  0.920005  0.792227  0.392404  1
  S  S84  1  0.001129  0.913916  0.392488  1
  S  S85  1  0.583333  0.041495  0.388697  1
  S  S86  1  0.666707  0.166552  0.388754  1
  S  S87  1  0.750006  0.291648  0.388573  1
  S  S88  1  0.833429  0.416950  0.388481  1
  S  S89  1  0.917176  0.542524  0.389355  1
  S  S90  1  0.002210  0.668895  0.392537  1
  S  S91  1  0.750359  0.041382  0.388887  1
  S  S92  1  0.833473  0.166421  0.388561  1
  S  S93  1  0.916669  0.291739  0.388357  1
  S  S94  1  0.000034  0.417188  0.388776  1
  S  S95  1  0.917209  0.040856  0.389348  1
  S  S96  1  0.000105  0.166358  0.388436  1
  S  S97  1  0.083333  0.791670  0.619351  1
  S  S98  1  0.167366  0.917364  0.614579  1
  S  S99  1  0.083333  0.540755  0.611869  1
  S  S100  1  0.167085  0.665848  0.614621  1
  S  S101  1  0.251182  0.791783  0.614485  1
  S  S102  1  0.334382  0.917035  0.611684  1
  S  S103  1  0.083333  0.291629  0.609551  1
  S  S104  1  0.166767  0.416469  0.610155  1
  S  S105  1  0.250343  0.541680  0.610783  1
  S  S106  1  0.333645  0.666617  0.610855  1
  S  S107  1  0.417078  0.791360  0.610366  1
  S  S108  1  0.500338  0.916467  0.610022  1
  S  S109  1  0.083333  0.041824  0.611050  1
  S  S110  1  0.166614  0.166701  0.609790  1
  S  S111  1  0.249935  0.291669  0.609606  1
  S  S112  1  0.333338  0.416816  0.609760  1
  S  S113  1  0.416785  0.541819  0.609685  1
  S  S114  1  0.500139  0.666657  0.609339  1
  S  S115  1  0.583333  0.791417  0.609309  1
  S  S116  1  0.666329  0.916467  0.610022  1
  S  S117  1  0.249925  0.041872  0.610775  1
  S  S118  1  0.333177  0.166630  0.609824  1
  S  S119  1  0.416530  0.291751  0.609752  1
  S  S120  1  0.499982  0.416894  0.609586  1
  S  S121  1  0.583333  0.541881  0.609240  1
  S  S122  1  0.666528  0.666657  0.609338  1
  S  S123  1  0.749589  0.791360  0.610365  1
  S  S124  1  0.832285  0.917035  0.611683  1
  S  S125  1  0.416853  0.041716  0.610288  1
  S  S126  1  0.499945  0.166618  0.609966  1
  S  S127  1  0.583333  0.291784  0.609861  1
  S  S128  1  0.666685  0.416894  0.609586  1
  S  S129  1  0.749881  0.541820  0.609685  1
  S  S130  1  0.833021  0.666617  0.610855  1
  S  S131  1  0.915485  0.791783  0.614485  1
  S  S132  1  -0.000700  0.917364  0.614579  1
  S  S133  1  0.583333  0.041493  0.609939  1
  S  S134  1  0.666721  0.166618  0.609966  1
  S  S135  1  0.750137  0.291751  0.609752  1
  S  S136  1  0.833329  0.416816  0.609759  1
  S  S137  1  0.916324  0.541680  0.610783  1
  S  S138  1  -0.000418  0.665847  0.614622  1
  S  S139  1  0.749813  0.041716  0.610288  1
  S  S140  1  0.833490  0.166630  0.609824  1
  S  S141  1  0.916732  0.291669  0.609606  1
  S  S142  1  -0.000100  0.416469  0.610155  1
  S  S143  1  0.916741  0.041872  0.610775  1
  S  S144  1  0.000053  0.166701  0.609790  1
