# 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  0.791774  0.375310  1
  W  W2  1  0.001166  0.750561  0.507315  1
  W  W3  1  0.083333  0.873904  0.507412  1
  W  W4  1  -0.000120  0.500097  0.500331  1
  W  W5  1  0.083333  0.625066  0.503754  1
  W  W6  1  0.165500  0.750561  0.507314  1
  W  W7  1  0.249923  0.874948  0.503612  1
  W  W8  1  0.000041  0.250034  0.499068  1
  W  W9  1  0.083333  0.375100  0.499402  1
  W  W10  1  0.166787  0.500097  0.500331  1
  W  W11  1  0.249707  0.625331  0.501126  1
  W  W12  1  0.332843  0.750042  0.500995  1
  W  W13  1  0.416666  0.874784  0.500165  1
  W  W14  1  0.000185  -0.000356  0.501401  1
  W  W15  1  0.083333  0.124921  0.499772  1
  W  W16  1  0.166625  0.250034  0.499068  1
  W  W17  1  0.249972  0.375062  0.498961  1
  W  W18  1  0.333241  0.500164  0.499061  1
  W  W19  1  0.416529  0.625075  0.499258  1
  W  W20  1  0.499875  0.749903  0.499127  1
  W  W21  1  0.583334  0.874829  0.499260  1
  W  W22  1  0.166482  -0.000356  0.501402  1
  W  W23  1  0.249862  0.124913  0.499438  1
  W  W24  1  0.333247  0.250012  0.498626  1
  W  W25  1  0.416604  0.375102  0.498276  1
  W  W26  1  0.499969  0.500089  0.498346  1
  W  W27  1  0.583333  0.625029  0.498624  1
  W  W28  1  0.666791  0.749904  0.499126  1
  W  W29  1  0.750001  0.874784  0.500164  1
  W  W30  1  0.333177  0.000011  0.500357  1
  W  W31  1  0.416581  0.124967  0.498946  1
  W  W32  1  0.499976  0.250018  0.498173  1
  W  W33  1  0.583333  0.375092  0.497990  1
  W  W34  1  0.666698  0.500089  0.498346  1
  W  W35  1  0.750138  0.625076  0.499257  1
  W  W36  1  0.833823  0.750042  0.500994  1
  W  W37  1  0.916744  0.874948  0.503612  1
  W  W38  1  0.499939  -0.000140  0.499332  1
  W  W39  1  0.583333  0.124929  0.498639  1
  W  W40  1  0.666691  0.250018  0.498174  1
  W  W41  1  0.750063  0.375102  0.498276  1
  W  W42  1  0.833426  0.500165  0.499060  1
  W  W43  1  0.916960  0.625331  0.501125  1
  W  W44  1  0.666728  -0.000140  0.499332  1
  W  W45  1  0.750086  0.124967  0.498946  1
  W  W46  1  0.833419  0.250012  0.498625  1
  W  W47  1  0.916695  0.375062  0.498961  1
  W  W48  1  0.833490  0.000011  0.500356  1
  W  W49  1  0.916804  0.124913  0.499438  1
  S  S50  1  0.165584  0.914088  0.392935  1
  S  S51  1  0.083333  0.542555  0.390914  1
  S  S52  1  0.164484  0.668771  0.392890  1
  S  S53  1  0.246700  0.792223  0.392753  1
  S  S54  1  0.332452  0.916219  0.390798  1
  S  S55  1  0.083333  0.291829  0.388406  1
  S  S56  1  0.166512  0.417109  0.388782  1
  S  S57  1  0.249435  0.542469  0.389348  1
  S  S58  1  0.332502  0.667052  0.389613  1
  S  S59  1  0.415702  0.791584  0.389237  1
  S  S60  1  0.499689  0.916400  0.388784  1
  S  S61  1  0.083333  0.040959  0.390060  1
  S  S62  1  0.166511  0.166442  0.388638  1
  S  S63  1  0.249776  0.291723  0.388091  1
  S  S64  1  0.332998  0.416954  0.387979  1
  S  S65  1  0.416316  0.541955  0.388083  1
  S  S66  1  0.499704  0.666752  0.388144  1
  S  S67  1  0.583333  0.791589  0.388361  1
  S  S68  1  0.666978  0.916401  0.388784  1
  S  S69  1  0.249399  0.040954  0.389607  1
  S  S70  1  0.333028  0.166404  0.388250  1
  S  S71  1  0.416441  0.291659  0.387602  1
  S  S72  1  0.499859  0.416830  0.387406  1
  S  S73  1  0.583334  0.541850  0.387616  1
  S  S74  1  0.666963  0.666752  0.388144  1
  S  S75  1  0.750965  0.791584  0.389238  1
  S  S76  1  0.834215  0.916219  0.390797  1
  S  S77  1  0.416262  0.041291  0.388796  1
  S  S78  1  0.499853  0.166407  0.387832  1
  S  S79  1  0.583334  0.291653  0.387327  1
  S  S80  1  0.666808  0.416831  0.387407  1
  S  S81  1  0.750350  0.541955  0.388084  1
  S  S82  1  0.834165  0.667053  0.389612  1
  S  S83  1  0.919967  0.792223  0.392753  1
  S  S84  1  0.001082  0.914088  0.392935  1
  S  S85  1  0.583333  0.041303  0.388399  1
  S  S86  1  0.666814  0.166407  0.387833  1
  S  S87  1  0.750226  0.291659  0.387602  1
  S  S88  1  0.833669  0.416954  0.387979  1
  S  S89  1  0.917232  0.542469  0.389348  1
  S  S90  1  0.002183  0.668771  0.392890  1
  S  S91  1  0.750404  0.041291  0.388796  1
  S  S92  1  0.833639  0.166403  0.388250  1
  S  S93  1  0.916891  0.291723  0.388091  1
  S  S94  1  0.000155  0.417109  0.388782  1
  S  S95  1  0.917268  0.040954  0.389607  1
  S  S96  1  0.000156  0.166442  0.388638  1
  S  S97  1  0.083333  0.791659  0.619599  1
  S  S98  1  0.167477  0.917486  0.614950  1
  S  S99  1  0.083333  0.540493  0.612053  1
  S  S100  1  0.167195  0.665658  0.614892  1
  S  S101  1  0.251266  0.791763  0.614768  1
  S  S102  1  0.334530  0.917140  0.611929  1
  S  S103  1  0.083333  0.291639  0.609921  1
  S  S104  1  0.166875  0.416335  0.610319  1
  S  S105  1  0.250485  0.541431  0.610876  1
  S  S106  1  0.333771  0.666489  0.611058  1
  S  S107  1  0.417109  0.791377  0.610750  1
  S  S108  1  0.500337  0.916605  0.610284  1
  S  S109  1  0.083333  0.042064  0.611464  1
  S  S110  1  0.166724  0.166878  0.610172  1
  S  S111  1  0.250113  0.291682  0.609603  1
  S  S112  1  0.333529  0.416612  0.609454  1
  S  S113  1  0.416880  0.541534  0.609611  1
  S  S114  1  0.500169  0.666530  0.609728  1
  S  S115  1  0.583333  0.791435  0.609827  1
  S  S116  1  0.666331  0.916605  0.610285  1
  S  S117  1  0.250079  0.042096  0.611092  1
  S  S118  1  0.333400  0.166859  0.609697  1
  S  S119  1  0.416768  0.291754  0.609017  1
  S  S120  1  0.500069  0.416668  0.608901  1
  S  S121  1  0.583333  0.541606  0.609153  1
  S  S122  1  0.666498  0.666530  0.609729  1
  S  S123  1  0.749556  0.791377  0.610750  1
  S  S124  1  0.832137  0.917140  0.611929  1
  S  S125  1  0.416957  0.041951  0.610255  1
  S  S126  1  0.500070  0.166851  0.609246  1
  S  S127  1  0.583333  0.291776  0.608793  1
  S  S128  1  0.666598  0.416668  0.608901  1
  S  S129  1  0.749787  0.541534  0.609612  1
  S  S130  1  0.832896  0.666490  0.611058  1
  S  S131  1  0.915400  0.791763  0.614768  1
  S  S132  1  -0.000810  0.917486  0.614951  1
  S  S133  1  0.583333  0.041766  0.609776  1
  S  S134  1  0.666597  0.166851  0.609246  1
  S  S135  1  0.749898  0.291754  0.609018  1
  S  S136  1  0.833138  0.416612  0.609454  1
  S  S137  1  0.916182  0.541431  0.610875  1
  S  S138  1  -0.000528  0.665658  0.614892  1
  S  S139  1  0.749709  0.041951  0.610255  1
  S  S140  1  0.833267  0.166859  0.609697  1
  S  S141  1  0.916554  0.291682  0.609603  1
  S  S142  1  -0.000208  0.416335  0.610319  1
  S  S143  1  0.916588  0.042096  0.611092  1
  S  S144  1  -0.000057  0.166878  0.610172  1
