# generated using pymatgen
data_RuW47S96
_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   RuW47S96
_chemical_formula_sum   'Ru1 W47 S96'
_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  -0.000013  0.737588  0.500003  1
  W  W2  1  0.083838  0.879311  0.499998  1
  W  W3  1  -0.000000  0.497928  0.499994  1
  W  W4  1  0.083667  0.623663  0.499997  1
  W  W5  1  0.168188  0.749694  0.499999  1
  W  W6  1  0.249322  0.875821  0.499998  1
  W  W7  1  0.000001  0.249431  0.499987  1
  W  W8  1  0.083443  0.374254  0.499989  1
  W  W9  1  0.166626  0.499290  0.499995  1
  W  W10  1  0.249093  0.625566  0.499999  1
  W  W11  1  0.332412  0.751022  0.500000  1
  W  W12  1  0.416765  0.875614  0.499998  1
  W  W13  1  0.000000  0.001054  0.499993  1
  W  W14  1  0.083545  0.125455  0.499991  1
  W  W15  1  0.166858  0.249575  0.499989  1
  W  W16  1  0.250357  0.375097  0.499991  1
  W  W17  1  0.333354  0.499934  0.499996  1
  W  W18  1  0.416295  0.625643  0.499999  1
  W  W19  1  0.500000  0.750583  0.500000  1
  W  W20  1  0.583235  0.875614  0.499997  1
  W  W21  1  0.167309  -0.000505  0.499995  1
  W  W22  1  0.250380  0.125314  0.499993  1
  W  W23  1  0.333347  0.249940  0.499992  1
  W  W24  1  0.416467  0.375611  0.499995  1
  W  W25  1  0.500000  0.500500  0.499997  1
  W  W26  1  0.583705  0.625643  0.499999  1
  W  W27  1  0.667587  0.751021  0.499999  1
  W  W28  1  0.750678  0.875822  0.499997  1
  W  W29  1  0.333567  0.000309  0.499995  1
  W  W30  1  0.416679  0.125409  0.499991  1
  W  W31  1  0.500000  0.250309  0.499991  1
  W  W32  1  0.583533  0.375611  0.499995  1
  W  W33  1  0.666646  0.499934  0.499996  1
  W  W34  1  0.750907  0.625565  0.499999  1
  W  W35  1  0.831820  0.749696  0.499999  1
  W  W36  1  0.916160  0.879314  0.499998  1
  W  W37  1  0.500000  0.000205  0.499995  1
  W  W38  1  0.583321  0.125410  0.499991  1
  W  W39  1  0.666654  0.249940  0.499989  1
  W  W40  1  0.749643  0.375097  0.499990  1
  W  W41  1  0.833374  0.499290  0.499994  1
  W  W42  1  0.916336  0.623662  0.499998  1
  W  W43  1  0.666433  0.000309  0.499994  1
  W  W44  1  0.749619  0.125314  0.499990  1
  W  W45  1  0.833143  0.249576  0.499987  1
  W  W46  1  0.916557  0.374254  0.499988  1
  W  W47  1  0.832691  -0.000504  0.499994  1
  W  W48  1  0.916456  0.125455  0.499990  1
  S  S49  1  0.078402  0.790757  0.395926  1
  S  S50  1  0.167136  0.917042  0.387616  1
  S  S51  1  0.083167  0.540316  0.389721  1
  S  S52  1  0.166007  0.666931  0.389486  1
  S  S53  1  0.249358  0.792629  0.388781  1
  S  S54  1  0.333306  0.916987  0.389718  1
  S  S55  1  0.083414  0.291068  0.389495  1
  S  S56  1  0.166730  0.416134  0.389518  1
  S  S57  1  0.249880  0.541944  0.389736  1
  S  S58  1  0.332812  0.667302  0.389855  1
  S  S59  1  0.416366  0.792156  0.389698  1
  S  S60  1  0.500000  0.917047  0.389395  1
  S  S61  1  0.083825  0.042199  0.389638  1
  S  S62  1  0.166990  0.166529  0.389433  1
  S  S63  1  0.250041  0.291712  0.389657  1
  S  S64  1  0.333291  0.416893  0.389368  1
  S  S65  1  0.416517  0.542228  0.389723  1
  S  S66  1  0.500000  0.667212  0.389847  1
  S  S67  1  0.583634  0.792156  0.389698  1
  S  S68  1  0.666693  0.916987  0.389718  1
  S  S69  1  0.250238  0.041906  0.389617  1
  S  S70  1  0.333535  0.166860  0.389357  1
  S  S71  1  0.416646  0.292063  0.389738  1
  S  S72  1  0.500000  0.417145  0.389671  1
  S  S73  1  0.583483  0.542228  0.389723  1
  S  S74  1  0.667189  0.667302  0.389855  1
  S  S75  1  0.750643  0.792628  0.388785  1
  S  S76  1  0.832862  0.917044  0.387616  1
  S  S77  1  0.416821  0.042047  0.389513  1
  S  S78  1  0.500000  0.167054  0.389588  1
  S  S79  1  0.583356  0.292062  0.389738  1
  S  S80  1  0.666709  0.416893  0.389369  1
  S  S81  1  0.750120  0.541944  0.389736  1
  S  S82  1  0.833993  0.666932  0.389486  1
  S  S83  1  0.921592  0.790765  0.395916  1
  S  S84  1  0.000000  0.918443  0.389582  1
  S  S85  1  0.583179  0.042047  0.389514  1
  S  S86  1  0.666465  0.166860  0.389358  1
  S  S87  1  0.749960  0.291713  0.389658  1
  S  S88  1  0.833271  0.416134  0.389519  1
  S  S89  1  0.916833  0.540316  0.389720  1
  S  S90  1  -0.000000  0.660274  0.384972  1
  S  S91  1  0.749762  0.041907  0.389617  1
  S  S92  1  0.833011  0.166529  0.389435  1
  S  S93  1  0.916587  0.291068  0.389496  1
  S  S94  1  0.000000  0.415166  0.389155  1
  S  S95  1  0.916176  0.042200  0.389638  1
  S  S96  1  0.000000  0.166435  0.389379  1
  S  S97  1  0.078401  0.790757  0.604075  1
  S  S98  1  0.167136  0.917042  0.612388  1
  S  S99  1  0.083168  0.540317  0.610286  1
  S  S100  1  0.166007  0.666931  0.610516  1
  S  S101  1  0.249358  0.792629  0.611221  1
  S  S102  1  0.333306  0.916988  0.610284  1
  S  S103  1  0.083415  0.291068  0.610516  1
  S  S104  1  0.166730  0.416135  0.610488  1
  S  S105  1  0.249880  0.541944  0.610267  1
  S  S106  1  0.332812  0.667302  0.610147  1
  S  S107  1  0.416367  0.792156  0.610304  1
  S  S108  1  0.500000  0.917046  0.610610  1
  S  S109  1  0.083825  0.042199  0.610371  1
  S  S110  1  0.166991  0.166529  0.610577  1
  S  S111  1  0.250042  0.291712  0.610351  1
  S  S112  1  0.333292  0.416894  0.610637  1
  S  S113  1  0.416517  0.542228  0.610279  1
  S  S114  1  0.500000  0.667212  0.610154  1
  S  S115  1  0.583634  0.792156  0.610304  1
  S  S116  1  0.666694  0.916988  0.610285  1
  S  S117  1  0.250238  0.041906  0.610389  1
  S  S118  1  0.333535  0.166860  0.610651  1
  S  S119  1  0.416645  0.292063  0.610267  1
  S  S120  1  0.500000  0.417145  0.610332  1
  S  S121  1  0.583483  0.542228  0.610279  1
  S  S122  1  0.667188  0.667302  0.610146  1
  S  S123  1  0.750643  0.792628  0.611216  1
  S  S124  1  0.832862  0.917043  0.612390  1
  S  S125  1  0.416821  0.042047  0.610494  1
  S  S126  1  0.500000  0.167055  0.610419  1
  S  S127  1  0.583356  0.292062  0.610266  1
  S  S128  1  0.666708  0.416894  0.610637  1
  S  S129  1  0.750120  0.541944  0.610267  1
  S  S130  1  0.833993  0.666932  0.610516  1
  S  S131  1  0.921592  0.790764  0.604085  1
  S  S132  1  0.000000  0.918443  0.610423  1
  S  S133  1  0.583180  0.042047  0.610494  1
  S  S134  1  0.666465  0.166861  0.610651  1
  S  S135  1  0.749959  0.291712  0.610352  1
  S  S136  1  0.833271  0.416135  0.610489  1
  S  S137  1  0.916832  0.540317  0.610286  1
  S  S138  1  -0.000000  0.660275  0.615029  1
  S  S139  1  0.749762  0.041906  0.610390  1
  S  S140  1  0.833010  0.166529  0.610578  1
  S  S141  1  0.916586  0.291068  0.610517  1
  S  S142  1  0.000000  0.415166  0.610855  1
  S  S143  1  0.916175  0.042199  0.610371  1
  S  S144  1  0.000001  0.166434  0.610634  1
