# 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  0.791710  0.372413  1
  W  W2  1  0.001478  0.750836  0.506460  1
  W  W3  1  0.083333  0.873455  0.506518  1
  W  W4  1  -0.000049  0.500363  0.500127  1
  W  W5  1  0.083333  0.625374  0.503025  1
  W  W6  1  0.165188  0.750836  0.506460  1
  W  W7  1  0.249726  0.874892  0.503013  1
  W  W8  1  0.000054  0.250020  0.499047  1
  W  W9  1  0.083333  0.375201  0.499439  1
  W  W10  1  0.166716  0.500362  0.500127  1
  W  W11  1  0.249559  0.625534  0.500625  1
  W  W12  1  0.332716  0.750146  0.500479  1
  W  W13  1  0.416486  0.874837  0.499821  1
  W  W14  1  0.000225  -0.000537  0.500623  1
  W  W15  1  0.083333  0.124637  0.499172  1
  W  W16  1  0.166613  0.250020  0.499047  1
  W  W17  1  0.249942  0.375148  0.499325  1
  W  W18  1  0.333207  0.500357  0.499263  1
  W  W19  1  0.416313  0.625250  0.499004  1
  W  W20  1  0.499741  0.749973  0.498649  1
  W  W21  1  0.583333  0.874858  0.498977  1
  W  W22  1  0.166442  -0.000537  0.500623  1
  W  W23  1  0.249724  0.124758  0.499195  1
  W  W24  1  0.333226  0.249985  0.499321  1
  W  W25  1  0.416548  0.375139  0.499422  1
  W  W26  1  0.499927  0.500105  0.499018  1
  W  W27  1  0.583333  0.625113  0.498471  1
  W  W28  1  0.666925  0.749973  0.498649  1
  W  W29  1  0.750181  0.874837  0.499821  1
  W  W30  1  0.333051  -0.000106  0.500074  1
  W  W31  1  0.416499  0.124961  0.499510  1
  W  W32  1  0.499939  0.249985  0.499699  1
  W  W33  1  0.583333  0.375081  0.499556  1
  W  W34  1  0.666739  0.500105  0.499018  1
  W  W35  1  0.750354  0.625250  0.499004  1
  W  W36  1  0.833950  0.750146  0.500479  1
  W  W37  1  0.916941  0.874892  0.503013  1
  W  W38  1  0.499857  -0.000140  0.499514  1
  W  W39  1  0.583333  0.124945  0.499672  1
  W  W40  1  0.666728  0.249985  0.499699  1
  W  W41  1  0.750119  0.375140  0.499422  1
  W  W42  1  0.833459  0.500357  0.499263  1
  W  W43  1  0.917107  0.625535  0.500626  1
  W  W44  1  0.666810  -0.000140  0.499514  1
  W  W45  1  0.750167  0.124961  0.499510  1
  W  W46  1  0.833440  0.249985  0.499321  1
  W  W47  1  0.916725  0.375148  0.499325  1
  W  W48  1  0.833615  -0.000106  0.500074  1
  W  W49  1  0.916943  0.124758  0.499195  1
  S  S50  1  0.165515  0.913779  0.392030  1
  S  S51  1  0.083333  0.542688  0.390512  1
  S  S52  1  0.164416  0.668972  0.391993  1
  S  S53  1  0.246599  0.792269  0.392009  1
  S  S54  1  0.332310  0.916178  0.390405  1
  S  S55  1  0.083333  0.291836  0.388556  1
  S  S56  1  0.166621  0.417155  0.388999  1
  S  S57  1  0.249474  0.542534  0.389279  1
  S  S58  1  0.332362  0.667140  0.389168  1
  S  S59  1  0.415498  0.791650  0.388906  1
  S  S60  1  0.499592  0.916485  0.388810  1
  S  S61  1  0.083333  0.040681  0.389259  1
  S  S62  1  0.166550  0.166407  0.388502  1
  S  S63  1  0.249993  0.291735  0.388611  1
  S  S64  1  0.333236  0.416873  0.388727  1
  S  S65  1  0.416397  0.541816  0.388465  1
  S  S66  1  0.499625  0.666680  0.388073  1
  S  S67  1  0.583333  0.791610  0.388170  1
  S  S68  1  0.667075  0.916485  0.388810  1
  S  S69  1  0.249382  0.040794  0.389203  1
  S  S70  1  0.333161  0.166455  0.388728  1
  S  S71  1  0.416680  0.291617  0.388905  1
  S  S72  1  0.499981  0.416535  0.388742  1
  S  S73  1  0.583333  0.541560  0.388269  1
  S  S74  1  0.667042  0.666680  0.388073  1
  S  S75  1  0.751169  0.791650  0.388907  1
  S  S76  1  0.834356  0.916178  0.390405  1
  S  S77  1  0.416234  0.041408  0.389073  1
  S  S78  1  0.499956  0.166568  0.389045  1
  S  S79  1  0.583333  0.291563  0.389095  1
  S  S80  1  0.666686  0.416535  0.388742  1
  S  S81  1  0.750269  0.541816  0.388465  1
  S  S82  1  0.834305  0.667140  0.389168  1
  S  S83  1  0.920067  0.792269  0.392009  1
  S  S84  1  0.001152  0.913779  0.392030  1
  S  S85  1  0.583333  0.041515  0.389055  1
  S  S86  1  0.666710  0.166568  0.389045  1
  S  S87  1  0.749987  0.291617  0.388905  1
  S  S88  1  0.833430  0.416873  0.388727  1
  S  S89  1  0.917192  0.542535  0.389280  1
  S  S90  1  0.002251  0.668972  0.391993  1
  S  S91  1  0.750433  0.041408  0.389073  1
  S  S92  1  0.833506  0.166455  0.388728  1
  S  S93  1  0.916674  0.291735  0.388611  1
  S  S94  1  0.000045  0.417155  0.388999  1
  S  S95  1  0.917284  0.040794  0.389203  1
  S  S96  1  0.000116  0.166407  0.388502  1
  S  S97  1  0.083333  0.791631  0.618971  1
  S  S98  1  0.167223  0.917215  0.614130  1
  S  S99  1  0.083333  0.540924  0.611669  1
  S  S100  1  0.167019  0.666001  0.614117  1
  S  S101  1  0.250968  0.791736  0.614066  1
  S  S102  1  0.334233  0.916964  0.611548  1
  S  S103  1  0.083333  0.291609  0.609734  1
  S  S104  1  0.166747  0.416618  0.610238  1
  S  S105  1  0.250283  0.541831  0.610628  1
  S  S106  1  0.333453  0.666709  0.610609  1
  S  S107  1  0.416896  0.791344  0.610239  1
  S  S108  1  0.500196  0.916375  0.609970  1
  S  S109  1  0.083333  0.041642  0.610717  1
  S  S110  1  0.166514  0.166570  0.609691  1
  S  S111  1  0.249848  0.291641  0.609829  1
  S  S112  1  0.333256  0.416885  0.609941  1
  S  S113  1  0.416682  0.541887  0.609681  1
  S  S114  1  0.500031  0.666669  0.609203  1
  S  S115  1  0.583333  0.791356  0.609203  1
  S  S116  1  0.666471  0.916375  0.609970  1
  S  S117  1  0.249745  0.041763  0.610583  1
  S  S118  1  0.332993  0.166550  0.609914  1
  S  S119  1  0.416455  0.291687  0.610134  1
  S  S120  1  0.499924  0.416833  0.609993  1
  S  S121  1  0.583333  0.541879  0.609339  1
  S  S122  1  0.666636  0.666669  0.609203  1
  S  S123  1  0.749771  0.791344  0.610239  1
  S  S124  1  0.832434  0.916964  0.611548  1
  S  S125  1  0.416626  0.041652  0.610284  1
  S  S126  1  0.499860  0.166543  0.610246  1
  S  S127  1  0.583334  0.291669  0.610331  1
  S  S128  1  0.666743  0.416833  0.609993  1
  S  S129  1  0.749984  0.541887  0.609681  1
  S  S130  1  0.833213  0.666709  0.610609  1
  S  S131  1  0.915699  0.791736  0.614066  1
  S  S132  1  -0.000556  0.917215  0.614130  1
  S  S133  1  0.583333  0.041432  0.610068  1
  S  S134  1  0.666806  0.166543  0.610247  1
  S  S135  1  0.750211  0.291687  0.610134  1
  S  S136  1  0.833411  0.416885  0.609941  1
  S  S137  1  0.916384  0.541831  0.610628  1
  S  S138  1  -0.000353  0.666001  0.614117  1
  S  S139  1  0.750041  0.041652  0.610284  1
  S  S140  1  0.833674  0.166550  0.609914  1
  S  S141  1  0.916819  0.291641  0.609829  1
  S  S142  1  -0.000080  0.416618  0.610238  1
  S  S143  1  0.916921  0.041763  0.610583  1
  S  S144  1  0.000153  0.166570  0.609691  1
