# generated using pymatgen
data_RbW47S96
_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   RbW47S96
_chemical_formula_sum   'Rb1 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
  Rb  Rb1  1  -0.000000  0.749474  0.500000  1
  W  W2  1  0.092553  0.879976  0.500001  1
  W  W3  1  0.000000  0.493137  0.499995  1
  W  W4  1  0.083504  0.614804  0.499998  1
  W  W5  1  0.175906  0.754643  0.500001  1
  W  W6  1  0.255539  0.878308  0.500003  1
  W  W7  1  -0.000000  0.247864  0.499999  1
  W  W8  1  0.083799  0.371279  0.499995  1
  W  W9  1  0.168077  0.495076  0.499995  1
  W  W10  1  0.249329  0.625133  0.499999  1
  W  W11  1  0.337545  0.751374  0.500001  1
  W  W12  1  0.418453  0.876999  0.500004  1
  W  W13  1  -0.000000  -0.000706  0.500002  1
  W  W14  1  0.083666  0.124283  0.500001  1
  W  W15  1  0.167219  0.248573  0.499999  1
  W  W16  1  0.250793  0.373089  0.499996  1
  W  W17  1  0.333368  0.499864  0.499997  1
  W  W18  1  0.416666  0.625346  0.500000  1
  W  W19  1  0.500000  0.751082  0.500003  1
  W  W20  1  0.581547  0.876999  0.500004  1
  W  W21  1  0.170341  0.003154  0.500003  1
  W  W22  1  0.251604  0.126222  0.500002  1
  W  W23  1  0.334106  0.250290  0.500000  1
  W  W24  1  0.416828  0.375421  0.499998  1
  W  W25  1  0.500000  0.500339  0.499999  1
  W  W26  1  0.583334  0.625346  0.500000  1
  W  W27  1  0.662455  0.751374  0.500002  1
  W  W28  1  0.744461  0.878308  0.500003  1
  W  W29  1  0.335625  0.002399  0.500004  1
  W  W30  1  0.417383  0.126599  0.500002  1
  W  W31  1  0.500000  0.251091  0.500001  1
  W  W32  1  0.583172  0.375421  0.499999  1
  W  W33  1  0.666632  0.499864  0.499998  1
  W  W34  1  0.750671  0.625133  0.499999  1
  W  W35  1  0.824094  0.754643  0.500001  1
  W  W36  1  0.907447  0.879976  0.500001  1
  W  W37  1  0.500000  0.002067  0.500004  1
  W  W38  1  0.582617  0.126599  0.500002  1
  W  W39  1  0.665894  0.250290  0.500001  1
  W  W40  1  0.749207  0.373089  0.499997  1
  W  W41  1  0.831923  0.495076  0.499996  1
  W  W42  1  0.916496  0.614804  0.499998  1
  W  W43  1  0.664375  0.002399  0.500003  1
  W  W44  1  0.748396  0.126222  0.500002  1
  W  W45  1  0.832781  0.248573  0.499999  1
  W  W46  1  0.916201  0.371279  0.499996  1
  W  W47  1  0.829659  0.003154  0.500002  1
  W  W48  1  0.916334  0.124283  0.500001  1
  S  S49  1  0.102639  0.801511  0.385088  1
  S  S50  1  0.173474  0.921799  0.388307  1
  S  S51  1  0.084865  0.533070  0.388487  1
  S  S52  1  0.164362  0.667539  0.392991  1
  S  S53  1  0.258037  0.794631  0.388428  1
  S  S54  1  0.336812  0.919492  0.388338  1
  S  S55  1  0.083552  0.288907  0.388856  1
  S  S56  1  0.167457  0.412812  0.388768  1
  S  S57  1  0.249872  0.541184  0.389635  1
  S  S58  1  0.333295  0.666900  0.389577  1
  S  S59  1  0.418811  0.793372  0.388553  1
  S  S60  1  0.500000  0.918962  0.388521  1
  S  S61  1  0.083691  0.041315  0.389402  1
  S  S62  1  0.167099  0.165894  0.389063  1
  S  S63  1  0.250495  0.290443  0.388911  1
  S  S64  1  0.333401  0.416556  0.389296  1
  S  S65  1  0.416609  0.541943  0.389441  1
  S  S66  1  0.500000  0.667091  0.389428  1
  S  S67  1  0.581189  0.793372  0.388553  1
  S  S68  1  0.663188  0.919492  0.388338  1
  S  S69  1  0.252707  0.044032  0.388531  1
  S  S70  1  0.334367  0.167761  0.388726  1
  S  S71  1  0.416909  0.292496  0.389021  1
  S  S72  1  0.500000  0.417218  0.389207  1
  S  S73  1  0.583391  0.541943  0.389440  1
  S  S74  1  0.666705  0.666900  0.389577  1
  S  S75  1  0.741963  0.794631  0.388428  1
  S  S76  1  0.826526  0.921799  0.388308  1
  S  S77  1  0.417754  0.043825  0.388579  1
  S  S78  1  0.500000  0.168267  0.388812  1
  S  S79  1  0.583091  0.292496  0.389021  1
  S  S80  1  0.666599  0.416556  0.389296  1
  S  S81  1  0.750128  0.541184  0.389634  1
  S  S82  1  0.835638  0.667539  0.392991  1
  S  S83  1  0.897360  0.801511  0.385088  1
  S  S84  1  -0.000000  0.914582  0.392748  1
  S  S85  1  0.582246  0.043825  0.388579  1
  S  S86  1  0.665633  0.167761  0.388726  1
  S  S87  1  0.749504  0.290443  0.388911  1
  S  S88  1  0.832543  0.412812  0.388767  1
  S  S89  1  0.915135  0.533071  0.388487  1
  S  S90  1  0.000000  0.646311  0.385174  1
  S  S91  1  0.747293  0.044032  0.388531  1
  S  S92  1  0.832901  0.165894  0.389063  1
  S  S93  1  0.916448  0.288907  0.388856  1
  S  S94  1  0.000000  0.411465  0.388536  1
  S  S95  1  0.916309  0.041315  0.389402  1
  S  S96  1  -0.000000  0.165148  0.389104  1
  S  S97  1  0.102640  0.801511  0.614912  1
  S  S98  1  0.173474  0.921800  0.611690  1
  S  S99  1  0.084866  0.533070  0.611518  1
  S  S100  1  0.164362  0.667539  0.607010  1
  S  S101  1  0.258037  0.794631  0.611569  1
  S  S102  1  0.336812  0.919492  0.611659  1
  S  S103  1  0.083552  0.288906  0.611146  1
  S  S104  1  0.167457  0.412812  0.611238  1
  S  S105  1  0.249872  0.541184  0.610369  1
  S  S106  1  0.333295  0.666901  0.610423  1
  S  S107  1  0.418812  0.793372  0.611444  1
  S  S108  1  0.500000  0.918962  0.611477  1
  S  S109  1  0.083691  0.041315  0.610595  1
  S  S110  1  0.167099  0.165894  0.610935  1
  S  S111  1  0.250496  0.290442  0.611090  1
  S  S112  1  0.333402  0.416556  0.610706  1
  S  S113  1  0.416609  0.541943  0.610559  1
  S  S114  1  0.500000  0.667091  0.610570  1
  S  S115  1  0.581188  0.793372  0.611444  1
  S  S116  1  0.663188  0.919492  0.611659  1
  S  S117  1  0.252707  0.044032  0.611467  1
  S  S118  1  0.334367  0.167761  0.611272  1
  S  S119  1  0.416909  0.292496  0.610979  1
  S  S120  1  0.500000  0.417218  0.610794  1
  S  S121  1  0.583391  0.541943  0.610559  1
  S  S122  1  0.666705  0.666901  0.610422  1
  S  S123  1  0.741963  0.794631  0.611569  1
  S  S124  1  0.826526  0.921799  0.611690  1
  S  S125  1  0.417753  0.043825  0.611419  1
  S  S126  1  0.500000  0.168267  0.611186  1
  S  S127  1  0.583091  0.292496  0.610979  1
  S  S128  1  0.666598  0.416556  0.610705  1
  S  S129  1  0.750128  0.541184  0.610368  1
  S  S130  1  0.835638  0.667539  0.607010  1
  S  S131  1  0.897360  0.801511  0.614912  1
  S  S132  1  -0.000000  0.914583  0.607251  1
  S  S133  1  0.582247  0.043825  0.611419  1
  S  S134  1  0.665633  0.167761  0.611272  1
  S  S135  1  0.749504  0.290443  0.611090  1
  S  S136  1  0.832543  0.412812  0.611237  1
  S  S137  1  0.915134  0.533071  0.611518  1
  S  S138  1  0.000000  0.646312  0.614827  1
  S  S139  1  0.747293  0.044032  0.611467  1
  S  S140  1  0.832901  0.165894  0.610935  1
  S  S141  1  0.916447  0.288906  0.611146  1
  S  S142  1  -0.000000  0.411465  0.611470  1
  S  S143  1  0.916309  0.041315  0.610595  1
  S  S144  1  -0.000000  0.165148  0.610896  1
