# generated using pymatgen
data_RbW48S95
_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   RbW48S95
_chemical_formula_sum   'Rb1 W48 S95'
_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  0.083333  0.791707  0.245560  1
  W  W2  1  0.003467  0.751792  0.509095  1
  W  W3  1  0.083333  0.871565  0.509104  1
  W  W4  1  0.000114  0.500817  0.501145  1
  W  W5  1  0.083333  0.626789  0.504821  1
  W  W6  1  0.163200  0.751792  0.509095  1
  W  W7  1  0.248328  0.874141  0.504744  1
  W  W8  1  0.000096  0.250067  0.499573  1
  W  W9  1  0.083333  0.375432  0.500052  1
  W  W10  1  0.166552  0.500817  0.501145  1
  W  W11  1  0.249467  0.626007  0.501748  1
  W  W12  1  0.332228  0.749959  0.501638  1
  W  W13  1  0.416049  0.874611  0.500921  1
  W  W14  1  0.000653  -0.000847  0.501748  1
  W  W15  1  0.083333  0.124739  0.500038  1
  W  W16  1  0.166570  0.250067  0.499573  1
  W  W17  1  0.249823  0.375332  0.499803  1
  W  W18  1  0.333019  0.500508  0.500001  1
  W  W19  1  0.416386  0.625216  0.499969  1
  W  W20  1  0.499661  0.749940  0.499755  1
  W  W21  1  0.583333  0.874710  0.499866  1
  W  W22  1  0.166013  -0.000847  0.501748  1
  W  W23  1  0.249644  0.124590  0.499957  1
  W  W24  1  0.333093  0.249933  0.499567  1
  W  W25  1  0.416483  0.375156  0.499611  1
  W  W26  1  0.499897  0.500178  0.499566  1
  W  W27  1  0.583333  0.625104  0.499444  1
  W  W28  1  0.667006  0.749940  0.499755  1
  W  W29  1  0.750617  0.874611  0.500921  1
  W  W30  1  0.332688  -0.000519  0.501060  1
  W  W31  1  0.416393  0.124674  0.499827  1
  W  W32  1  0.499870  0.249873  0.499611  1
  W  W33  1  0.583333  0.375060  0.499613  1
  W  W34  1  0.666770  0.500178  0.499566  1
  W  W35  1  0.750280  0.625216  0.499969  1
  W  W36  1  0.834438  0.749959  0.501638  1
  W  W37  1  0.918339  0.874141  0.504744  1
  W  W38  1  0.499770  -0.000402  0.500052  1
  W  W39  1  0.583333  0.124679  0.499673  1
  W  W40  1  0.666797  0.249873  0.499611  1
  W  W41  1  0.750183  0.375156  0.499611  1
  W  W42  1  0.833648  0.500508  0.500001  1
  W  W43  1  0.917200  0.626007  0.501748  1
  W  W44  1  0.666897  -0.000402  0.500052  1
  W  W45  1  0.750274  0.124674  0.499827  1
  W  W46  1  0.833574  0.249933  0.499567  1
  W  W47  1  0.916844  0.375332  0.499803  1
  W  W48  1  0.833979  -0.000519  0.501060  1
  W  W49  1  0.917023  0.124590  0.499957  1
  S  S50  1  0.164092  0.912707  0.394402  1
  S  S51  1  0.083333  0.543924  0.391871  1
  S  S52  1  0.163971  0.670658  0.394412  1
  S  S53  1  0.244752  0.791733  0.394387  1
  S  S54  1  0.331219  0.915520  0.391761  1
  S  S55  1  0.083333  0.292057  0.389000  1
  S  S56  1  0.166455  0.417660  0.389673  1
  S  S57  1  0.249192  0.542969  0.390196  1
  S  S58  1  0.332320  0.667213  0.390170  1
  S  S59  1  0.415203  0.791569  0.389995  1
  S  S60  1  0.499341  0.916162  0.389588  1
  S  S61  1  0.083333  0.040677  0.390234  1
  S  S62  1  0.166531  0.166384  0.389084  1
  S  S63  1  0.249823  0.291899  0.388927  1
  S  S64  1  0.333036  0.417142  0.389113  1
  S  S65  1  0.416278  0.541987  0.389062  1
  S  S66  1  0.499660  0.666771  0.388887  1
  S  S67  1  0.583333  0.791511  0.389038  1
  S  S68  1  0.667326  0.916162  0.389588  1
  S  S69  1  0.249163  0.040452  0.390177  1
  S  S70  1  0.332961  0.166271  0.389118  1
  S  S71  1  0.416488  0.291659  0.388968  1
  S  S72  1  0.499906  0.416773  0.388940  1
  S  S73  1  0.583333  0.541774  0.388752  1
  S  S74  1  0.667007  0.666771  0.388887  1
  S  S75  1  0.751464  0.791569  0.389995  1
  S  S76  1  0.835448  0.915520  0.391761  1
  S  S77  1  0.415944  0.040951  0.389680  1
  S  S78  1  0.499805  0.166325  0.389067  1
  S  S79  1  0.583333  0.291575  0.389044  1
  S  S80  1  0.666760  0.416773  0.388940  1
  S  S81  1  0.750389  0.541987  0.389062  1
  S  S82  1  0.834347  0.667213  0.390170  1
  S  S83  1  0.921914  0.791733  0.394387  1
  S  S84  1  0.002575  0.912707  0.394402  1
  S  S85  1  0.583333  0.041121  0.389237  1
  S  S86  1  0.666862  0.166325  0.389067  1
  S  S87  1  0.750179  0.291659  0.388967  1
  S  S88  1  0.833631  0.417142  0.389113  1
  S  S89  1  0.917475  0.542969  0.390196  1
  S  S90  1  0.002696  0.670658  0.394412  1
  S  S91  1  0.750723  0.040951  0.389680  1
  S  S92  1  0.833706  0.166271  0.389118  1
  S  S93  1  0.916844  0.291899  0.388927  1
  S  S94  1  0.000211  0.417661  0.389673  1
  S  S95  1  0.917503  0.040452  0.390177  1
  S  S96  1  0.000136  0.166384  0.389084  1
  S  S97  1  0.083333  0.791717  0.623090  1
  S  S98  1  0.165663  0.916982  0.615914  1
  S  S99  1  0.083333  0.541735  0.612886  1
  S  S100  1  0.167493  0.667371  0.615940  1
  S  S101  1  0.249860  0.790733  0.615866  1
  S  S102  1  0.333475  0.916573  0.612740  1
  S  S103  1  0.083332  0.291769  0.610363  1
  S  S104  1  0.166693  0.416853  0.610968  1
  S  S105  1  0.250197  0.542094  0.611592  1
  S  S106  1  0.333597  0.666630  0.611739  1
  S  S107  1  0.416636  0.791280  0.611369  1
  S  S108  1  0.500056  0.916349  0.610872  1
  S  S109  1  0.083333  0.041904  0.611770  1
  S  S110  1  0.166569  0.166755  0.610499  1
  S  S111  1  0.249862  0.291764  0.610261  1
  S  S112  1  0.333233  0.416900  0.610420  1
  S  S113  1  0.416686  0.541813  0.610540  1
  S  S114  1  0.500067  0.666648  0.610401  1
  S  S115  1  0.583333  0.791400  0.610395  1
  S  S116  1  0.666611  0.916349  0.610872  1
  S  S117  1  0.249587  0.041633  0.611529  1
  S  S118  1  0.333081  0.166560  0.610365  1
  S  S119  1  0.416470  0.291661  0.610201  1
  S  S120  1  0.499921  0.416780  0.610252  1
  S  S121  1  0.583333  0.541796  0.610204  1
  S  S122  1  0.666600  0.666648  0.610401  1
  S  S123  1  0.750031  0.791280  0.611369  1
  S  S124  1  0.833192  0.916573  0.612740  1
  S  S125  1  0.416585  0.041484  0.610894  1
  S  S126  1  0.499914  0.166456  0.610266  1
  S  S127  1  0.583333  0.291589  0.610217  1
  S  S128  1  0.666746  0.416780  0.610252  1
  S  S129  1  0.749980  0.541813  0.610540  1
  S  S130  1  0.833070  0.666630  0.611739  1
  S  S131  1  0.916807  0.790733  0.615866  1
  S  S132  1  0.001004  0.916982  0.615914  1
  S  S133  1  0.583333  0.041390  0.610482  1
  S  S134  1  0.666753  0.166456  0.610266  1
  S  S135  1  0.750197  0.291661  0.610201  1
  S  S136  1  0.833434  0.416900  0.610420  1
  S  S137  1  0.916470  0.542094  0.611592  1
  S  S138  1  -0.000826  0.667371  0.615940  1
  S  S139  1  0.750081  0.041484  0.610894  1
  S  S140  1  0.833586  0.166560  0.610365  1
  S  S141  1  0.916805  0.291764  0.610261  1
  S  S142  1  -0.000026  0.416853  0.610968  1
  S  S143  1  0.917080  0.041633  0.611529  1
  S  S144  1  0.000098  0.166755  0.610499  1
