# 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  0.083334  0.791692  0.374367  1
  W  W2  1  0.001192  0.750591  0.506820  1
  W  W3  1  0.083333  0.873842  0.506836  1
  W  W4  1  -0.000089  0.500166  0.500254  1
  W  W5  1  0.083333  0.625150  0.503357  1
  W  W6  1  0.165475  0.750591  0.506820  1
  W  W7  1  0.249856  0.874936  0.503152  1
  W  W8  1  0.000033  0.250005  0.499026  1
  W  W9  1  0.083333  0.375129  0.499306  1
  W  W10  1  0.166755  0.500166  0.500254  1
  W  W11  1  0.249653  0.625393  0.500917  1
  W  W12  1  0.332790  0.750057  0.500649  1
  W  W13  1  0.416616  0.874821  0.499948  1
  W  W14  1  0.000217  -0.000432  0.501010  1
  W  W15  1  0.083333  0.124785  0.499526  1
  W  W16  1  0.166634  0.250004  0.499026  1
  W  W17  1  0.250005  0.375102  0.499125  1
  W  W18  1  0.333255  0.500225  0.499221  1
  W  W19  1  0.416450  0.625128  0.499153  1
  W  W20  1  0.499856  0.749905  0.498841  1
  W  W21  1  0.583333  0.874840  0.499015  1
  W  W22  1  0.166450  -0.000431  0.501010  1
  W  W23  1  0.249838  0.124849  0.499409  1
  W  W24  1  0.333265  0.249970  0.499021  1
  W  W25  1  0.416624  0.375097  0.498879  1
  W  W26  1  0.499959  0.500113  0.498730  1
  W  W27  1  0.583334  0.625016  0.498623  1
  W  W28  1  0.666811  0.749905  0.498842  1
  W  W29  1  0.750050  0.874821  0.499948  1
  W  W30  1  0.333163  -0.000031  0.500244  1
  W  W31  1  0.416583  0.124931  0.499300  1
  W  W32  1  0.499959  0.249995  0.498994  1
  W  W33  1  0.583333  0.375076  0.498778  1
  W  W34  1  0.666708  0.500112  0.498730  1
  W  W35  1  0.750217  0.625128  0.499153  1
  W  W36  1  0.833876  0.750057  0.500649  1
  W  W37  1  0.916811  0.874935  0.503152  1
  W  W38  1  0.499937  -0.000135  0.499368  1
  W  W39  1  0.583333  0.124927  0.499171  1
  W  W40  1  0.666708  0.249995  0.498994  1
  W  W41  1  0.750042  0.375097  0.498879  1
  W  W42  1  0.833411  0.500225  0.499221  1
  W  W43  1  0.917014  0.625392  0.500915  1
  W  W44  1  0.666729  -0.000136  0.499368  1
  W  W45  1  0.750084  0.124932  0.499300  1
  W  W46  1  0.833403  0.249970  0.499021  1
  W  W47  1  0.916661  0.375102  0.499124  1
  W  W48  1  0.833504  -0.000031  0.500244  1
  W  W49  1  0.916829  0.124849  0.499409  1
  S  S50  1  0.165581  0.914061  0.392405  1
  S  S51  1  0.083334  0.542549  0.390692  1
  S  S52  1  0.164503  0.668767  0.392464  1
  S  S53  1  0.246698  0.792231  0.392273  1
  S  S54  1  0.332453  0.916271  0.390509  1
  S  S55  1  0.083333  0.291808  0.388372  1
  S  S56  1  0.166611  0.417128  0.388814  1
  S  S57  1  0.249483  0.542441  0.389367  1
  S  S58  1  0.332464  0.667027  0.389357  1
  S  S59  1  0.415687  0.791637  0.389021  1
  S  S60  1  0.499667  0.916486  0.388650  1
  S  S61  1  0.083333  0.040898  0.389637  1
  S  S62  1  0.166563  0.166414  0.388569  1
  S  S63  1  0.249951  0.291734  0.388333  1
  S  S64  1  0.333191  0.416923  0.388351  1
  S  S65  1  0.416370  0.541886  0.388236  1
  S  S66  1  0.499701  0.666663  0.388040  1
  S  S67  1  0.583333  0.791582  0.388095  1
  S  S68  1  0.666999  0.916486  0.388650  1
  S  S69  1  0.249474  0.040948  0.389469  1
  S  S70  1  0.333151  0.166427  0.388537  1
  S  S71  1  0.416587  0.291641  0.388283  1
  S  S72  1  0.499927  0.416724  0.388082  1
  S  S73  1  0.583333  0.541707  0.387914  1
  S  S74  1  0.666966  0.666664  0.388040  1
  S  S75  1  0.750980  0.791637  0.389020  1
  S  S76  1  0.834214  0.916271  0.390510  1
  S  S77  1  0.416300  0.041397  0.388903  1
  S  S78  1  0.499911  0.166519  0.388472  1
  S  S79  1  0.583333  0.291599  0.388267  1
  S  S80  1  0.666740  0.416723  0.388082  1
  S  S81  1  0.750296  0.541886  0.388236  1
  S  S82  1  0.834202  0.667026  0.389356  1
  S  S83  1  0.919968  0.792230  0.392273  1
  S  S84  1  0.001086  0.914062  0.392404  1
  S  S85  1  0.583333  0.041484  0.388583  1
  S  S86  1  0.666756  0.166519  0.388472  1
  S  S87  1  0.750080  0.291641  0.388283  1
  S  S88  1  0.833474  0.416923  0.388351  1
  S  S89  1  0.917184  0.542440  0.389367  1
  S  S90  1  0.002164  0.668767  0.392464  1
  S  S91  1  0.750366  0.041397  0.388903  1
  S  S92  1  0.833516  0.166427  0.388538  1
  S  S93  1  0.916716  0.291734  0.388333  1
  S  S94  1  0.000056  0.417129  0.388814  1
  S  S95  1  0.917193  0.040948  0.389469  1
  S  S96  1  0.000103  0.166414  0.388569  1
  S  S97  1  0.083333  0.791677  0.619048  1
  S  S98  1  0.167400  0.917387  0.614516  1
  S  S99  1  0.083334  0.540693  0.611893  1
  S  S100  1  0.167080  0.665783  0.614576  1
  S  S101  1  0.251184  0.791801  0.614360  1
  S  S102  1  0.334359  0.917049  0.611671  1
  S  S103  1  0.083333  0.291649  0.609755  1
  S  S104  1  0.166793  0.416436  0.610261  1
  S  S105  1  0.250383  0.541593  0.610811  1
  S  S106  1  0.333626  0.666604  0.610867  1
  S  S107  1  0.417039  0.791371  0.610417  1
  S  S108  1  0.500314  0.916533  0.610121  1
  S  S109  1  0.083333  0.041873  0.611155  1
  S  S110  1  0.166615  0.166760  0.609995  1
  S  S111  1  0.249994  0.291681  0.609710  1
  S  S112  1  0.333416  0.416748  0.609745  1
  S  S113  1  0.416797  0.541750  0.609738  1
  S  S114  1  0.500097  0.666614  0.609551  1
  S  S115  1  0.583333  0.791441  0.609518  1
  S  S116  1  0.666353  0.916533  0.610121  1
  S  S117  1  0.249945  0.041931  0.610889  1
  S  S118  1  0.333261  0.166703  0.609916  1
  S  S119  1  0.416626  0.291742  0.609632  1
  S  S120  1  0.500016  0.416784  0.609477  1
  S  S121  1  0.583333  0.541736  0.609383  1
  S  S122  1  0.666571  0.666615  0.609551  1
  S  S123  1  0.749628  0.791371  0.610418  1
  S  S124  1  0.832307  0.917049  0.611671  1
  S  S125  1  0.416881  0.041773  0.610339  1
  S  S126  1  0.499998  0.166707  0.609824  1
  S  S127  1  0.583333  0.291761  0.609561  1
  S  S128  1  0.666651  0.416784  0.609478  1
  S  S129  1  0.749869  0.541750  0.609738  1
  S  S130  1  0.833041  0.666603  0.610866  1
  S  S131  1  0.915482  0.791800  0.614360  1
  S  S132  1  -0.000734  0.917387  0.614516  1
  S  S133  1  0.583333  0.041605  0.609939  1
  S  S134  1  0.666669  0.166707  0.609823  1
  S  S135  1  0.750041  0.291741  0.609632  1
  S  S136  1  0.833250  0.416748  0.609744  1
  S  S137  1  0.916284  0.541593  0.610811  1
  S  S138  1  -0.000414  0.665783  0.614576  1
  S  S139  1  0.749786  0.041773  0.610339  1
  S  S140  1  0.833405  0.166703  0.609916  1
  S  S141  1  0.916673  0.291681  0.609709  1
  S  S142  1  -0.000126  0.416436  0.610261  1
  S  S143  1  0.916722  0.041930  0.610889  1
  S  S144  1  0.000052  0.166760  0.609995  1
