# 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  0.749457  0.500000  1
  W  W2  1  0.093214  0.879729  0.500000  1
  W  W3  1  0.000000  0.493277  0.499999  1
  W  W4  1  0.082939  0.614570  0.500000  1
  W  W5  1  0.175981  0.755194  0.500000  1
  W  W6  1  0.255564  0.878281  0.500000  1
  W  W7  1  -0.000000  0.248292  0.499998  1
  W  W8  1  0.083862  0.371644  0.499999  1
  W  W9  1  0.168624  0.495495  0.499999  1
  W  W10  1  0.249339  0.625044  0.500000  1
  W  W11  1  0.337436  0.750665  0.500000  1
  W  W12  1  0.418413  0.876642  0.500000  1
  W  W13  1  0.000000  -0.000549  0.499999  1
  W  W14  1  0.083603  0.124573  0.499999  1
  W  W15  1  0.167203  0.248860  0.499999  1
  W  W16  1  0.250990  0.373246  0.499999  1
  W  W17  1  0.333466  0.499750  0.500000  1
  W  W18  1  0.416689  0.624991  0.500000  1
  W  W19  1  0.500000  0.750463  0.500000  1
  W  W20  1  0.581587  0.876642  0.499999  1
  W  W21  1  0.169721  0.003511  0.500000  1
  W  W22  1  0.251432  0.126415  0.500001  1
  W  W23  1  0.334103  0.250323  0.500000  1
  W  W24  1  0.416886  0.375332  0.500000  1
  W  W25  1  0.500000  0.500058  0.500000  1
  W  W26  1  0.583311  0.624991  0.500000  1
  W  W27  1  0.662564  0.750665  0.499999  1
  W  W28  1  0.744436  0.878281  0.499999  1
  W  W29  1  0.335501  0.002286  0.500001  1
  W  W30  1  0.417324  0.126501  0.500000  1
  W  W31  1  0.500000  0.250992  0.499999  1
  W  W32  1  0.583114  0.375332  0.500000  1
  W  W33  1  0.666534  0.499750  0.500000  1
  W  W34  1  0.750661  0.625044  0.500000  1
  W  W35  1  0.824019  0.755194  0.499999  1
  W  W36  1  0.906786  0.879729  0.499999  1
  W  W37  1  0.500000  0.001817  0.499999  1
  W  W38  1  0.582676  0.126501  0.499999  1
  W  W39  1  0.665897  0.250323  0.499999  1
  W  W40  1  0.749010  0.373246  0.499999  1
  W  W41  1  0.831376  0.495495  0.499999  1
  W  W42  1  0.917061  0.614570  0.500000  1
  W  W43  1  0.664499  0.002286  0.500000  1
  W  W44  1  0.748568  0.126415  0.499999  1
  W  W45  1  0.832797  0.248860  0.499998  1
  W  W46  1  0.916138  0.371644  0.499999  1
  W  W47  1  0.830278  0.003512  0.499999  1
  W  W48  1  0.916397  0.124573  0.499998  1
  S  S49  1  0.103564  0.802045  0.383952  1
  S  S50  1  0.173561  0.922194  0.388446  1
  S  S51  1  0.085158  0.532987  0.388569  1
  S  S52  1  0.163680  0.667857  0.392918  1
  S  S53  1  0.258340  0.794493  0.388498  1
  S  S54  1  0.336898  0.919391  0.388361  1
  S  S55  1  0.083595  0.289268  0.388842  1
  S  S56  1  0.167711  0.413048  0.388822  1
  S  S57  1  0.250167  0.541327  0.389445  1
  S  S58  1  0.333225  0.666470  0.389443  1
  S  S59  1  0.418807  0.792889  0.388674  1
  S  S60  1  0.500000  0.918653  0.388578  1
  S  S61  1  0.083360  0.041588  0.389252  1
  S  S62  1  0.167038  0.166191  0.389005  1
  S  S63  1  0.250563  0.290575  0.388886  1
  S  S64  1  0.333573  0.416474  0.389166  1
  S  S65  1  0.416710  0.541638  0.389321  1
  S  S66  1  0.500000  0.666634  0.389285  1
  S  S67  1  0.581193  0.792889  0.388675  1
  S  S68  1  0.663103  0.919391  0.388361  1
  S  S69  1  0.252531  0.044186  0.388651  1
  S  S70  1  0.334341  0.167782  0.388724  1
  S  S71  1  0.416947  0.292394  0.388963  1
  S  S72  1  0.500000  0.417003  0.389062  1
  S  S73  1  0.583290  0.541638  0.389321  1
  S  S74  1  0.666775  0.666470  0.389443  1
  S  S75  1  0.741660  0.794493  0.388498  1
  S  S76  1  0.826439  0.922194  0.388447  1
  S  S77  1  0.417717  0.043687  0.388627  1
  S  S78  1  0.500000  0.168150  0.388806  1
  S  S79  1  0.583053  0.292394  0.388964  1
  S  S80  1  0.666427  0.416474  0.389166  1
  S  S81  1  0.749833  0.541327  0.389446  1
  S  S82  1  0.836320  0.667857  0.392918  1
  S  S83  1  0.896436  0.802045  0.383952  1
  S  S84  1  -0.000000  0.913982  0.392751  1
  S  S85  1  0.582283  0.043687  0.388628  1
  S  S86  1  0.665659  0.167782  0.388725  1
  S  S87  1  0.749437  0.290575  0.388886  1
  S  S88  1  0.832289  0.413048  0.388822  1
  S  S89  1  0.914842  0.532987  0.388569  1
  S  S90  1  0.000000  0.645460  0.383978  1
  S  S91  1  0.747469  0.044186  0.388651  1
  S  S92  1  0.832962  0.166191  0.389005  1
  S  S93  1  0.916405  0.289268  0.388842  1
  S  S94  1  -0.000000  0.411637  0.388498  1
  S  S95  1  0.916640  0.041588  0.389252  1
  S  S96  1  0.000000  0.165571  0.389086  1
  S  S97  1  0.103564  0.802045  0.616048  1
  S  S98  1  0.173561  0.922194  0.611554  1
  S  S99  1  0.085158  0.532987  0.611431  1
  S  S100  1  0.163680  0.667857  0.607082  1
  S  S101  1  0.258340  0.794493  0.611502  1
  S  S102  1  0.336897  0.919391  0.611640  1
  S  S103  1  0.083595  0.289268  0.611160  1
  S  S104  1  0.167711  0.413048  0.611179  1
  S  S105  1  0.250167  0.541327  0.610555  1
  S  S106  1  0.333225  0.666470  0.610557  1
  S  S107  1  0.418807  0.792889  0.611326  1
  S  S108  1  0.500000  0.918653  0.611422  1
  S  S109  1  0.083360  0.041588  0.610750  1
  S  S110  1  0.167038  0.166191  0.610996  1
  S  S111  1  0.250563  0.290575  0.611115  1
  S  S112  1  0.333573  0.416474  0.610834  1
  S  S113  1  0.416710  0.541638  0.610679  1
  S  S114  1  0.500000  0.666634  0.610715  1
  S  S115  1  0.581193  0.792889  0.611326  1
  S  S116  1  0.663103  0.919391  0.611640  1
  S  S117  1  0.252531  0.044186  0.611349  1
  S  S118  1  0.334341  0.167782  0.611276  1
  S  S119  1  0.416947  0.292395  0.611037  1
  S  S120  1  0.500000  0.417003  0.610938  1
  S  S121  1  0.583290  0.541638  0.610679  1
  S  S122  1  0.666775  0.666470  0.610557  1
  S  S123  1  0.741660  0.794493  0.611503  1
  S  S124  1  0.826439  0.922194  0.611555  1
  S  S125  1  0.417717  0.043687  0.611373  1
  S  S126  1  0.500000  0.168150  0.611195  1
  S  S127  1  0.583053  0.292395  0.611037  1
  S  S128  1  0.666427  0.416474  0.610834  1
  S  S129  1  0.749833  0.541327  0.610555  1
  S  S130  1  0.836320  0.667857  0.607082  1
  S  S131  1  0.896436  0.802045  0.616048  1
  S  S132  1  0.000000  0.913982  0.607250  1
  S  S133  1  0.582283  0.043687  0.611373  1
  S  S134  1  0.665658  0.167782  0.611276  1
  S  S135  1  0.749437  0.290575  0.611115  1
  S  S136  1  0.832289  0.413048  0.611179  1
  S  S137  1  0.914842  0.532987  0.611431  1
  S  S138  1  0.000000  0.645460  0.616022  1
  S  S139  1  0.747469  0.044186  0.611350  1
  S  S140  1  0.832962  0.166191  0.610996  1
  S  S141  1  0.916405  0.289268  0.611160  1
  S  S142  1  0.000000  0.411637  0.611503  1
  S  S143  1  0.916640  0.041588  0.610750  1
  S  S144  1  -0.000000  0.165570  0.610916  1
