# 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  0.747586  0.500000  1
  W  W2  1  0.092738  0.880125  0.500003  1
  W  W3  1  -0.000000  0.492790  0.500004  1
  W  W4  1  0.082760  0.613271  0.500001  1
  W  W5  1  0.175980  0.755943  0.500002  1
  W  W6  1  0.255442  0.878300  0.500005  1
  W  W7  1  0.000000  0.248361  0.500006  1
  W  W8  1  0.083950  0.371557  0.500006  1
  W  W9  1  0.168751  0.495575  0.500004  1
  W  W10  1  0.248929  0.625315  0.500002  1
  W  W11  1  0.337025  0.750568  0.500004  1
  W  W12  1  0.418344  0.876650  0.500006  1
  W  W13  1  0.000000  -0.000325  0.500004  1
  W  W14  1  0.083664  0.124687  0.500007  1
  W  W15  1  0.167267  0.248915  0.500005  1
  W  W16  1  0.251177  0.373325  0.500005  1
  W  W17  1  0.333365  0.499825  0.500003  1
  W  W18  1  0.416589  0.625104  0.500003  1
  W  W19  1  0.500000  0.750326  0.500005  1
  W  W20  1  0.581656  0.876651  0.500010  1
  W  W21  1  0.169523  0.003535  0.500005  1
  W  W22  1  0.251346  0.126475  0.500007  1
  W  W23  1  0.334151  0.250410  0.500006  1
  W  W24  1  0.416899  0.375490  0.500005  1
  W  W25  1  0.500000  0.500209  0.500004  1
  W  W26  1  0.583410  0.625104  0.500004  1
  W  W27  1  0.662975  0.750568  0.500008  1
  W  W28  1  0.744558  0.878301  0.500010  1
  W  W29  1  0.335409  0.002336  0.500007  1
  W  W30  1  0.417305  0.126597  0.500007  1
  W  W31  1  0.500000  0.251170  0.500007  1
  W  W32  1  0.583101  0.375490  0.500006  1
  W  W33  1  0.666635  0.499825  0.500004  1
  W  W34  1  0.751071  0.625315  0.500004  1
  W  W35  1  0.824020  0.755942  0.500004  1
  W  W36  1  0.907262  0.880125  0.500004  1
  W  W37  1  0.500000  0.001828  0.500010  1
  W  W38  1  0.582695  0.126597  0.500009  1
  W  W39  1  0.665849  0.250410  0.500008  1
  W  W40  1  0.748823  0.373325  0.500006  1
  W  W41  1  0.831248  0.495575  0.500005  1
  W  W42  1  0.917240  0.613271  0.500002  1
  W  W43  1  0.664591  0.002336  0.500011  1
  W  W44  1  0.748654  0.126475  0.500011  1
  W  W45  1  0.832733  0.248915  0.500007  1
  W  W46  1  0.916050  0.371557  0.500006  1
  W  W47  1  0.830478  0.003535  0.500010  1
  W  W48  1  0.916336  0.124687  0.500008  1
  S  S49  1  0.103232  0.802121  0.384211  1
  S  S50  1  0.173368  0.922245  0.388441  1
  S  S51  1  0.085221  0.532164  0.388247  1
  S  S52  1  0.162312  0.668111  0.393053  1
  S  S53  1  0.258348  0.794673  0.388232  1
  S  S54  1  0.336827  0.919460  0.388330  1
  S  S55  1  0.083663  0.289236  0.388781  1
  S  S56  1  0.167881  0.413012  0.388844  1
  S  S57  1  0.250138  0.541667  0.389438  1
  S  S58  1  0.332913  0.666454  0.389400  1
  S  S59  1  0.418702  0.792810  0.388782  1
  S  S60  1  0.500000  0.918619  0.388567  1
  S  S61  1  0.083333  0.041749  0.389166  1
  S  S62  1  0.167065  0.166279  0.388904  1
  S  S63  1  0.250658  0.290647  0.388859  1
  S  S64  1  0.333628  0.416573  0.389058  1
  S  S65  1  0.416644  0.541740  0.389325  1
  S  S66  1  0.500000  0.666633  0.389161  1
  S  S67  1  0.581298  0.792811  0.388783  1
  S  S68  1  0.663173  0.919460  0.388328  1
  S  S69  1  0.252420  0.044224  0.388635  1
  S  S70  1  0.334292  0.167839  0.388717  1
  S  S71  1  0.416963  0.292539  0.388928  1
  S  S72  1  0.500000  0.417183  0.389033  1
  S  S73  1  0.583356  0.541740  0.389325  1
  S  S74  1  0.667087  0.666454  0.389399  1
  S  S75  1  0.741652  0.794673  0.388230  1
  S  S76  1  0.826632  0.922245  0.388439  1
  S  S77  1  0.417692  0.043764  0.388640  1
  S  S78  1  0.500000  0.168300  0.388816  1
  S  S79  1  0.583037  0.292539  0.388927  1
  S  S80  1  0.666372  0.416573  0.389058  1
  S  S81  1  0.749862  0.541667  0.389438  1
  S  S82  1  0.837688  0.668111  0.393053  1
  S  S83  1  0.896768  0.802121  0.384210  1
  S  S84  1  0.000000  0.914380  0.392338  1
  S  S85  1  0.582309  0.043764  0.388639  1
  S  S86  1  0.665708  0.167839  0.388716  1
  S  S87  1  0.749342  0.290647  0.388859  1
  S  S88  1  0.832119  0.413012  0.388843  1
  S  S89  1  0.914779  0.532164  0.388247  1
  S  S90  1  -0.000000  0.643433  0.382999  1
  S  S91  1  0.747580  0.044224  0.388634  1
  S  S92  1  0.832935  0.166279  0.388903  1
  S  S93  1  0.916337  0.289236  0.388781  1
  S  S94  1  0.000000  0.411247  0.388374  1
  S  S95  1  0.916667  0.041749  0.389165  1
  S  S96  1  0.000000  0.165631  0.389063  1
  S  S97  1  0.103232  0.802121  0.615787  1
  S  S98  1  0.173368  0.922246  0.611556  1
  S  S99  1  0.085221  0.532164  0.611749  1
  S  S100  1  0.162312  0.668111  0.606946  1
  S  S101  1  0.258348  0.794673  0.611764  1
  S  S102  1  0.336828  0.919461  0.611663  1
  S  S103  1  0.083663  0.289236  0.611212  1
  S  S104  1  0.167881  0.413012  0.611151  1
  S  S105  1  0.250138  0.541667  0.610558  1
  S  S106  1  0.332914  0.666454  0.610597  1
  S  S107  1  0.418701  0.792811  0.611213  1
  S  S108  1  0.500000  0.918618  0.611425  1
  S  S109  1  0.083333  0.041749  0.610827  1
  S  S110  1  0.167064  0.166279  0.611090  1
  S  S111  1  0.250658  0.290647  0.611135  1
  S  S112  1  0.333629  0.416574  0.610938  1
  S  S113  1  0.416644  0.541740  0.610671  1
  S  S114  1  0.500000  0.666633  0.610834  1
  S  S115  1  0.581299  0.792811  0.611212  1
  S  S116  1  0.663172  0.919460  0.611661  1
  S  S117  1  0.252420  0.044224  0.611361  1
  S  S118  1  0.334293  0.167838  0.611277  1
  S  S119  1  0.416963  0.292540  0.611067  1
  S  S120  1  0.500000  0.417182  0.610962  1
  S  S121  1  0.583356  0.541740  0.610671  1
  S  S122  1  0.667086  0.666454  0.610596  1
  S  S123  1  0.741652  0.794673  0.611761  1
  S  S124  1  0.826632  0.922245  0.611554  1
  S  S125  1  0.417692  0.043764  0.611351  1
  S  S126  1  0.500000  0.168299  0.611175  1
  S  S127  1  0.583037  0.292540  0.611067  1
  S  S128  1  0.666371  0.416573  0.610937  1
  S  S129  1  0.749862  0.541666  0.610557  1
  S  S130  1  0.837689  0.668111  0.606947  1
  S  S131  1  0.896767  0.802121  0.615787  1
  S  S132  1  -0.000000  0.914381  0.607657  1
  S  S133  1  0.582309  0.043764  0.611350  1
  S  S134  1  0.665707  0.167838  0.611277  1
  S  S135  1  0.749342  0.290647  0.611135  1
  S  S136  1  0.832119  0.413012  0.611151  1
  S  S137  1  0.914779  0.532164  0.611749  1
  S  S138  1  0.000000  0.643432  0.616999  1
  S  S139  1  0.747580  0.044224  0.611359  1
  S  S140  1  0.832936  0.166279  0.611089  1
  S  S141  1  0.916337  0.289236  0.611211  1
  S  S142  1  -0.000000  0.411247  0.611620  1
  S  S143  1  0.916667  0.041749  0.610826  1
  S  S144  1  -0.000000  0.165631  0.610929  1
