# 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  -0.000640  0.746330  0.500000  1
  W  W2  1  0.091026  0.880109  0.499997  1
  W  W3  1  0.000079  0.492420  0.499992  1
  W  W4  1  0.083232  0.613566  0.499997  1
  W  W5  1  0.174853  0.755502  0.499999  1
  W  W6  1  0.255054  0.878248  0.499998  1
  W  W7  1  0.000014  0.248040  0.499987  1
  W  W8  1  0.083984  0.371146  0.499989  1
  W  W9  1  0.168630  0.494949  0.499992  1
  W  W10  1  0.249068  0.625258  0.499996  1
  W  W11  1  0.336996  0.751154  0.499997  1
  W  W12  1  0.418194  0.876890  0.499996  1
  W  W13  1  -0.000004  0.000162  0.499994  1
  W  W14  1  0.083715  0.124658  0.499991  1
  W  W15  1  0.167399  0.248670  0.499990  1
  W  W16  1  0.251136  0.373072  0.499991  1
  W  W17  1  0.333438  0.499921  0.499994  1
  W  W18  1  0.416599  0.625392  0.499996  1
  W  W19  1  0.499965  0.750890  0.499994  1
  W  W20  1  0.581671  0.876942  0.499992  1
  W  W21  1  0.169958  0.003401  0.499996  1
  W  W22  1  0.251549  0.126251  0.499994  1
  W  W23  1  0.334225  0.250300  0.499993  1
  W  W24  1  0.416929  0.375514  0.499992  1
  W  W25  1  0.500075  0.500440  0.499993  1
  W  W26  1  0.583578  0.625436  0.499994  1
  W  W27  1  0.662967  0.751239  0.499993  1
  W  W28  1  0.744741  0.878427  0.499993  1
  W  W29  1  0.335398  0.002329  0.499996  1
  W  W30  1  0.417349  0.126591  0.499994  1
  W  W31  1  0.500004  0.251169  0.499993  1
  W  W32  1  0.583146  0.375562  0.499991  1
  W  W33  1  0.666746  0.500013  0.499992  1
  W  W34  1  0.751223  0.625400  0.499995  1
  W  W35  1  0.824826  0.755941  0.499998  1
  W  W36  1  0.908745  0.880440  0.499995  1
  W  W37  1  0.499948  0.001975  0.499993  1
  W  W38  1  0.582599  0.126644  0.499991  1
  W  W39  1  0.665786  0.250371  0.499989  1
  W  W40  1  0.748939  0.373151  0.499989  1
  W  W41  1  0.831547  0.495057  0.499992  1
  W  W42  1  0.917249  0.613448  0.499998  1
  W  W43  1  0.664481  0.002448  0.499992  1
  W  W44  1  0.748410  0.126366  0.499988  1
  W  W45  1  0.832629  0.248734  0.499988  1
  W  W46  1  0.916100  0.371184  0.499990  1
  W  W47  1  0.829919  0.003577  0.499990  1
  W  W48  1  0.916283  0.124706  0.499988  1
  S  S49  1  0.101127  0.801460  0.385369  1
  S  S50  1  0.172674  0.921819  0.388742  1
  S  S51  1  0.085196  0.532105  0.388459  1
  S  S52  1  0.163240  0.667724  0.393200  1
  S  S53  1  0.257477  0.794652  0.388397  1
  S  S54  1  0.336484  0.919422  0.388379  1
  S  S55  1  0.083710  0.288869  0.388818  1
  S  S56  1  0.167806  0.412629  0.388806  1
  S  S57  1  0.250009  0.541411  0.389586  1
  S  S58  1  0.333002  0.666885  0.389557  1
  S  S59  1  0.418537  0.793180  0.388742  1
  S  S60  1  0.499923  0.918824  0.388600  1
  S  S61  1  0.083767  0.041854  0.389280  1
  S  S62  1  0.167211  0.166072  0.388980  1
  S  S63  1  0.250723  0.290448  0.388879  1
  S  S64  1  0.333598  0.416615  0.389215  1
  S  S65  1  0.416660  0.542006  0.389444  1
  S  S66  1  0.500076  0.667024  0.389378  1
  S  S67  1  0.581358  0.793215  0.388751  1
  S  S68  1  0.663328  0.919554  0.388373  1
  S  S69  1  0.252544  0.044043  0.388523  1
  S  S70  1  0.334379  0.167748  0.388727  1
  S  S71  1  0.416980  0.292560  0.388988  1
  S  S72  1  0.500036  0.417339  0.389158  1
  S  S73  1  0.583507  0.542053  0.389462  1
  S  S74  1  0.667212  0.666940  0.389588  1
  S  S75  1  0.742249  0.794881  0.388288  1
  S  S76  1  0.827102  0.922068  0.388727  1
  S  S77  1  0.417662  0.043770  0.388646  1
  S  S78  1  0.499973  0.168328  0.388810  1
  S  S79  1  0.583036  0.292606  0.388995  1
  S  S80  1  0.666494  0.416699  0.389220  1
  S  S81  1  0.750202  0.541557  0.389600  1
  S  S82  1  0.837248  0.668037  0.393385  1
  S  S83  1  0.898275  0.801975  0.385035  1
  S  S84  1  -0.000062  0.915920  0.392031  1
  S  S85  1  0.582223  0.043833  0.388640  1
  S  S86  1  0.665582  0.167833  0.388728  1
  S  S87  1  0.749305  0.290524  0.388885  1
  S  S88  1  0.832287  0.412709  0.388829  1
  S  S89  1  0.915027  0.532090  0.388361  1
  S  S90  1  0.000205  0.643504  0.383082  1
  S  S91  1  0.747340  0.044188  0.388515  1
  S  S92  1  0.832794  0.166142  0.388984  1
  S  S93  1  0.916335  0.288905  0.388816  1
  S  S94  1  0.000051  0.410928  0.388427  1
  S  S95  1  0.916221  0.041910  0.389293  1
  S  S96  1  0.000011  0.165439  0.389035  1
  S  S97  1  0.101127  0.801460  0.614632  1
  S  S98  1  0.172674  0.921818  0.611260  1
  S  S99  1  0.085195  0.532105  0.611548  1
  S  S100  1  0.163240  0.667725  0.606802  1
  S  S101  1  0.257477  0.794653  0.611605  1
  S  S102  1  0.336484  0.919422  0.611624  1
  S  S103  1  0.083710  0.288869  0.611193  1
  S  S104  1  0.167806  0.412629  0.611204  1
  S  S105  1  0.250009  0.541412  0.610420  1
  S  S106  1  0.333002  0.666885  0.610447  1
  S  S107  1  0.418537  0.793180  0.611262  1
  S  S108  1  0.499922  0.918824  0.611406  1
  S  S109  1  0.083768  0.041854  0.610727  1
  S  S110  1  0.167211  0.166072  0.611029  1
  S  S111  1  0.250724  0.290448  0.611130  1
  S  S112  1  0.333599  0.416615  0.610793  1
  S  S113  1  0.416660  0.542006  0.610562  1
  S  S114  1  0.500075  0.667024  0.610628  1
  S  S115  1  0.581357  0.793216  0.611255  1
  S  S116  1  0.663327  0.919554  0.611636  1
  S  S117  1  0.252544  0.044042  0.611482  1
  S  S118  1  0.334379  0.167748  0.611280  1
  S  S119  1  0.416980  0.292561  0.611020  1
  S  S120  1  0.500036  0.417339  0.610850  1
  S  S121  1  0.583507  0.542053  0.610545  1
  S  S122  1  0.667212  0.666940  0.610419  1
  S  S123  1  0.742249  0.794881  0.611719  1
  S  S124  1  0.827103  0.922068  0.611281  1
  S  S125  1  0.417662  0.043770  0.611359  1
  S  S126  1  0.499973  0.168328  0.611198  1
  S  S127  1  0.583035  0.292606  0.611014  1
  S  S128  1  0.666494  0.416699  0.610789  1
  S  S129  1  0.750202  0.541557  0.610407  1
  S  S130  1  0.837248  0.668037  0.606619  1
  S  S131  1  0.898276  0.801975  0.614967  1
  S  S132  1  -0.000061  0.915918  0.607972  1
  S  S133  1  0.582222  0.043833  0.611368  1
  S  S134  1  0.665581  0.167832  0.611282  1
  S  S135  1  0.749305  0.290524  0.611126  1
  S  S136  1  0.832286  0.412709  0.611181  1
  S  S137  1  0.915027  0.532090  0.611645  1
  S  S138  1  0.000204  0.643504  0.616920  1
  S  S139  1  0.747339  0.044188  0.611492  1
  S  S140  1  0.832794  0.166142  0.611028  1
  S  S141  1  0.916334  0.288905  0.611196  1
  S  S142  1  0.000052  0.410928  0.611584  1
  S  S143  1  0.916222  0.041909  0.610715  1
  S  S144  1  0.000011  0.165439  0.610976  1
