# 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  0.083331  0.791695  0.373026  1
  W  W2  1  0.001497  0.750765  0.507145  1
  W  W3  1  0.083333  0.873516  0.507130  1
  W  W4  1  -0.000017  0.500256  0.500394  1
  W  W5  1  0.083333  0.625325  0.503708  1
  W  W6  1  0.165169  0.750765  0.507144  1
  W  W7  1  0.249680  0.874880  0.503537  1
  W  W8  1  0.000035  0.249983  0.499052  1
  W  W9  1  0.083333  0.375132  0.499405  1
  W  W10  1  0.166684  0.500256  0.500394  1
  W  W11  1  0.249570  0.625460  0.501121  1
  W  W12  1  0.332675  0.750124  0.500930  1
  W  W13  1  0.416489  0.874852  0.500155  1
  W  W14  1  0.000216  -0.000492  0.501353  1
  W  W15  1  0.083333  0.124635  0.499755  1
  W  W16  1  0.166631  0.249983  0.499052  1
  W  W17  1  0.249949  0.375089  0.498996  1
  W  W18  1  0.333181  0.500332  0.499070  1
  W  W19  1  0.416291  0.625211  0.499151  1
  W  W20  1  0.499761  0.749953  0.498964  1
  W  W21  1  0.583333  0.874857  0.499148  1
  W  W22  1  0.166451  -0.000492  0.501353  1
  W  W23  1  0.249731  0.124766  0.499493  1
  W  W24  1  0.333243  0.249971  0.498758  1
  W  W25  1  0.416555  0.375142  0.498407  1
  W  W26  1  0.499948  0.500115  0.498339  1
  W  W27  1  0.583333  0.625114  0.498493  1
  W  W28  1  0.666906  0.749953  0.498964  1
  W  W29  1  0.750178  0.874852  0.500154  1
  W  W30  1  0.333085  -0.000109  0.500439  1
  W  W31  1  0.416552  0.124969  0.499118  1
  W  W32  1  0.499947  0.250006  0.498455  1
  W  W33  1  0.583333  0.375137  0.498170  1
  W  W34  1  0.666719  0.500115  0.498339  1
  W  W35  1  0.750376  0.625211  0.499152  1
  W  W36  1  0.833992  0.750124  0.500931  1
  W  W37  1  0.916987  0.874880  0.503537  1
  W  W38  1  0.499860  -0.000124  0.499390  1
  W  W39  1  0.583333  0.124937  0.498875  1
  W  W40  1  0.666720  0.250006  0.498455  1
  W  W41  1  0.750111  0.375142  0.498407  1
  W  W42  1  0.833486  0.500332  0.499070  1
  W  W43  1  0.917097  0.625460  0.501121  1
  W  W44  1  0.666807  -0.000124  0.499390  1
  W  W45  1  0.750114  0.124969  0.499117  1
  W  W46  1  0.833424  0.249971  0.498758  1
  W  W47  1  0.916718  0.375089  0.498996  1
  W  W48  1  0.833582  -0.000109  0.500439  1
  W  W49  1  0.916935  0.124766  0.499493  1
  S  S50  1  0.165473  0.913894  0.392657  1
  S  S51  1  0.083333  0.542748  0.390909  1
  S  S52  1  0.164348  0.668964  0.392686  1
  S  S53  1  0.246435  0.792259  0.392528  1
  S  S54  1  0.332241  0.916167  0.390757  1
  S  S55  1  0.083333  0.291771  0.388459  1
  S  S56  1  0.166509  0.417214  0.388871  1
  S  S57  1  0.249310  0.542623  0.389408  1
  S  S58  1  0.332232  0.667177  0.389500  1
  S  S59  1  0.415459  0.791639  0.389215  1
  S  S60  1  0.499558  0.916406  0.388827  1
  S  S61  1  0.083333  0.040666  0.389921  1
  S  S62  1  0.166476  0.166268  0.388715  1
  S  S63  1  0.249823  0.291680  0.388223  1
  S  S64  1  0.332988  0.417009  0.388150  1
  S  S65  1  0.416238  0.542000  0.388137  1
  S  S66  1  0.499584  0.666776  0.388149  1
  S  S67  1  0.583333  0.791601  0.388329  1
  S  S68  1  0.667108  0.916406  0.388827  1
  S  S69  1  0.249303  0.040754  0.389637  1
  S  S70  1  0.332978  0.166302  0.388479  1
  S  S71  1  0.416461  0.291624  0.387878  1
  S  S72  1  0.499844  0.416772  0.387585  1
  S  S73  1  0.583333  0.541835  0.387711  1
  S  S74  1  0.667083  0.666776  0.388150  1
  S  S75  1  0.751208  0.791639  0.389215  1
  S  S76  1  0.834425  0.916167  0.390757  1
  S  S77  1  0.416119  0.041271  0.388945  1
  S  S78  1  0.499847  0.166401  0.388138  1
  S  S79  1  0.583333  0.291587  0.387707  1
  S  S80  1  0.666823  0.416772  0.387585  1
  S  S81  1  0.750429  0.542000  0.388137  1
  S  S82  1  0.834435  0.667177  0.389500  1
  S  S83  1  0.920232  0.792259  0.392528  1
  S  S84  1  0.001194  0.913894  0.392657  1
  S  S85  1  0.583333  0.041340  0.388601  1
  S  S86  1  0.666820  0.166401  0.388138  1
  S  S87  1  0.750206  0.291624  0.387878  1
  S  S88  1  0.833679  0.417009  0.388150  1
  S  S89  1  0.917357  0.542623  0.389408  1
  S  S90  1  0.002318  0.668963  0.392687  1
  S  S91  1  0.750548  0.041271  0.388945  1
  S  S92  1  0.833688  0.166302  0.388479  1
  S  S93  1  0.916844  0.291680  0.388223  1
  S  S94  1  0.000157  0.417214  0.388871  1
  S  S95  1  0.917363  0.040754  0.389637  1
  S  S96  1  0.000190  0.166268  0.388715  1
  S  S97  1  0.083333  0.791665  0.619736  1
  S  S98  1  0.167235  0.917244  0.614857  1
  S  S99  1  0.083333  0.540750  0.612164  1
  S  S100  1  0.167076  0.665928  0.614870  1
  S  S101  1  0.250986  0.791735  0.614708  1
  S  S102  1  0.334282  0.917007  0.612021  1
  S  S103  1  0.083333  0.291600  0.609769  1
  S  S104  1  0.166848  0.416412  0.610267  1
  S  S105  1  0.250391  0.541622  0.610906  1
  S  S106  1  0.333533  0.666620  0.611069  1
  S  S107  1  0.416915  0.791356  0.610658  1
  S  S108  1  0.500270  0.916538  0.610200  1
  S  S109  1  0.083333  0.041758  0.611548  1
  S  S110  1  0.166635  0.166737  0.610081  1
  S  S111  1  0.250047  0.291643  0.609560  1
  S  S112  1  0.333461  0.416716  0.609436  1
  S  S113  1  0.416818  0.541661  0.609502  1
  S  S114  1  0.500070  0.666581  0.609483  1
  S  S115  1  0.583333  0.791416  0.609581  1
  S  S116  1  0.666397  0.916538  0.610200  1
  S  S117  1  0.249914  0.041877  0.611158  1
  S  S118  1  0.333277  0.166749  0.609737  1
  S  S119  1  0.416701  0.291760  0.609123  1
  S  S120  1  0.500036  0.416708  0.608934  1
  S  S121  1  0.583333  0.541666  0.608994  1
  S  S122  1  0.666596  0.666582  0.609483  1
  S  S123  1  0.749752  0.791356  0.610658  1
  S  S124  1  0.832384  0.917007  0.612021  1
  S  S125  1  0.416826  0.041861  0.610322  1
  S  S126  1  0.500030  0.166795  0.609431  1
  S  S127  1  0.583333  0.291793  0.608930  1
  S  S128  1  0.666630  0.416708  0.608934  1
  S  S129  1  0.749848  0.541661  0.609503  1
  S  S130  1  0.833134  0.666620  0.611069  1
  S  S131  1  0.915681  0.791735  0.614709  1
  S  S132  1  -0.000568  0.917244  0.614857  1
  S  S133  1  0.583333  0.041693  0.609775  1
  S  S134  1  0.666637  0.166795  0.609431  1
  S  S135  1  0.749966  0.291760  0.609123  1
  S  S136  1  0.833206  0.416716  0.609436  1
  S  S137  1  0.916276  0.541622  0.610907  1
  S  S138  1  -0.000409  0.665927  0.614871  1
  S  S139  1  0.749841  0.041861  0.610322  1
  S  S140  1  0.833389  0.166749  0.609737  1
  S  S141  1  0.916620  0.291643  0.609560  1
  S  S142  1  -0.000181  0.416412  0.610267  1
  S  S143  1  0.916752  0.041877  0.611158  1
  S  S144  1  0.000032  0.166737  0.610081  1
