# generated using pymatgen
data_SrW47S96
_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   SrW47S96
_chemical_formula_sum   'Sr1 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
  Sr  Sr1  1  0.000015  0.748259  0.500000  1
  W  W2  1  0.089429  0.879701  0.500000  1
  W  W3  1  -0.000001  0.494422  0.500000  1
  W  W4  1  0.083819  0.615485  0.500000  1
  W  W5  1  0.174300  0.754482  0.500000  1
  W  W6  1  0.254241  0.877576  0.499999  1
  W  W7  1  -0.000001  0.248756  0.500000  1
  W  W8  1  0.083867  0.372219  0.500000  1
  W  W9  1  0.168332  0.496146  0.500000  1
  W  W10  1  0.249709  0.625052  0.500000  1
  W  W11  1  0.336615  0.750616  0.500000  1
  W  W12  1  0.417998  0.876415  0.500000  1
  W  W13  1  -0.000001  0.000492  0.500000  1
  W  W14  1  0.083644  0.125065  0.499999  1
  W  W15  1  0.167220  0.249169  0.500000  1
  W  W16  1  0.250951  0.373516  0.500000  1
  W  W17  1  0.333554  0.499646  0.500000  1
  W  W18  1  0.416732  0.624989  0.500000  1
  W  W19  1  0.500001  0.750459  0.500000  1
  W  W20  1  0.582006  0.876413  0.500000  1
  W  W21  1  0.169305  0.003043  0.499999  1
  W  W22  1  0.251238  0.126142  0.499999  1
  W  W23  1  0.334021  0.250216  0.499999  1
  W  W24  1  0.416885  0.375180  0.500000  1
  W  W25  1  0.499998  0.499998  0.500000  1
  W  W26  1  0.583264  0.624988  0.500000  1
  W  W27  1  0.663386  0.750614  0.500000  1
  W  W28  1  0.745765  0.877571  0.500000  1
  W  W29  1  0.335010  0.001882  0.499999  1
  W  W30  1  0.417229  0.126206  0.499999  1
  W  W31  1  0.500000  0.250764  0.500000  1
  W  W32  1  0.583114  0.375179  0.500000  1
  W  W33  1  0.666440  0.499645  0.500000  1
  W  W34  1  0.750284  0.625048  0.500000  1
  W  W35  1  0.825715  0.754467  0.500000  1
  W  W36  1  0.910577  0.879691  0.500000  1
  W  W37  1  0.500001  0.001488  0.499999  1
  W  W38  1  0.582772  0.126205  0.499999  1
  W  W39  1  0.665978  0.250214  0.500000  1
  W  W40  1  0.749047  0.373515  0.500000  1
  W  W41  1  0.831664  0.496143  0.500000  1
  W  W42  1  0.916167  0.615492  0.500000  1
  W  W43  1  0.664992  0.001878  0.500000  1
  W  W44  1  0.748763  0.126139  0.500000  1
  W  W45  1  0.832779  0.249167  0.500000  1
  W  W46  1  0.916130  0.372219  0.500000  1
  W  W47  1  0.830697  0.003037  0.500000  1
  W  W48  1  0.916355  0.125064  0.500000  1
  S  S49  1  0.098483  0.799648  0.386220  1
  S  S50  1  0.171634  0.921125  0.388973  1
  S  S51  1  0.084933  0.534079  0.388361  1
  S  S52  1  0.164539  0.667266  0.392383  1
  S  S53  1  0.256746  0.794038  0.388481  1
  S  S54  1  0.335995  0.918876  0.388565  1
  S  S55  1  0.083616  0.289752  0.388882  1
  S  S56  1  0.167661  0.413597  0.388871  1
  S  S57  1  0.250296  0.541289  0.389487  1
  S  S58  1  0.333434  0.666588  0.389373  1
  S  S59  1  0.418390  0.792746  0.388803  1
  S  S60  1  0.500002  0.918300  0.388696  1
  S  S61  1  0.083712  0.042192  0.389268  1
  S  S62  1  0.167132  0.166445  0.389020  1
  S  S63  1  0.250581  0.290770  0.388915  1
  S  S64  1  0.333634  0.416414  0.389128  1
  S  S65  1  0.416732  0.541602  0.389317  1
  S  S66  1  0.499999  0.666688  0.389278  1
  S  S67  1  0.581613  0.792745  0.388802  1
  S  S68  1  0.664010  0.918872  0.388565  1
  S  S69  1  0.252099  0.043734  0.388646  1
  S  S70  1  0.334200  0.167533  0.388804  1
  S  S71  1  0.416920  0.292190  0.388995  1
  S  S72  1  0.499999  0.416878  0.389104  1
  S  S73  1  0.583264  0.541601  0.389316  1
  S  S74  1  0.666560  0.666587  0.389372  1
  S  S75  1  0.743264  0.794031  0.388486  1
  S  S76  1  0.828372  0.921118  0.388973  1
  S  S77  1  0.417503  0.043294  0.388749  1
  S  S78  1  0.500000  0.167852  0.388870  1
  S  S79  1  0.583079  0.292189  0.388994  1
  S  S80  1  0.666364  0.416413  0.389128  1
  S  S81  1  0.749699  0.541285  0.389487  1
  S  S82  1  0.835448  0.667258  0.392376  1
  S  S83  1  0.901532  0.799636  0.386226  1
  S  S84  1  0.000003  0.916658  0.391236  1
  S  S85  1  0.582499  0.043293  0.388749  1
  S  S86  1  0.665801  0.167531  0.388804  1
  S  S87  1  0.749418  0.290768  0.388915  1
  S  S88  1  0.832336  0.413596  0.388869  1
  S  S89  1  0.915061  0.534081  0.388365  1
  S  S90  1  -0.000003  0.648843  0.385416  1
  S  S91  1  0.747902  0.043729  0.388645  1
  S  S92  1  0.832868  0.166443  0.389020  1
  S  S93  1  0.916382  0.289751  0.388881  1
  S  S94  1  -0.000002  0.412443  0.388697  1
  S  S95  1  0.916287  0.042190  0.389267  1
  S  S96  1  -0.000001  0.166021  0.389058  1
  S  S97  1  0.098483  0.799648  0.613780  1
  S  S98  1  0.171634  0.921125  0.611028  1
  S  S99  1  0.084933  0.534079  0.611639  1
  S  S100  1  0.164538  0.667266  0.607617  1
  S  S101  1  0.256746  0.794038  0.611520  1
  S  S102  1  0.335995  0.918876  0.611436  1
  S  S103  1  0.083616  0.289752  0.611119  1
  S  S104  1  0.167661  0.413597  0.611129  1
  S  S105  1  0.250296  0.541289  0.610513  1
  S  S106  1  0.333434  0.666588  0.610627  1
  S  S107  1  0.418390  0.792746  0.611198  1
  S  S108  1  0.500002  0.918300  0.611304  1
  S  S109  1  0.083712  0.042192  0.610732  1
  S  S110  1  0.167132  0.166445  0.610981  1
  S  S111  1  0.250581  0.290770  0.611086  1
  S  S112  1  0.333634  0.416414  0.610872  1
  S  S113  1  0.416732  0.541602  0.610683  1
  S  S114  1  0.499999  0.666688  0.610722  1
  S  S115  1  0.581613  0.792745  0.611198  1
  S  S116  1  0.664010  0.918872  0.611435  1
  S  S117  1  0.252099  0.043734  0.611355  1
  S  S118  1  0.334200  0.167533  0.611197  1
  S  S119  1  0.416920  0.292190  0.611006  1
  S  S120  1  0.499999  0.416878  0.610896  1
  S  S121  1  0.583264  0.541601  0.610683  1
  S  S122  1  0.666560  0.666587  0.610628  1
  S  S123  1  0.743264  0.794031  0.611514  1
  S  S124  1  0.828372  0.921118  0.611027  1
  S  S125  1  0.417503  0.043294  0.611252  1
  S  S126  1  0.500000  0.167852  0.611130  1
  S  S127  1  0.583079  0.292189  0.611006  1
  S  S128  1  0.666364  0.416413  0.610872  1
  S  S129  1  0.749699  0.541285  0.610513  1
  S  S130  1  0.835448  0.667258  0.607624  1
  S  S131  1  0.901533  0.799636  0.613774  1
  S  S132  1  0.000003  0.916657  0.608764  1
  S  S133  1  0.582500  0.043293  0.611251  1
  S  S134  1  0.665801  0.167531  0.611196  1
  S  S135  1  0.749418  0.290768  0.611085  1
  S  S136  1  0.832336  0.413596  0.611131  1
  S  S137  1  0.915061  0.534081  0.611635  1
  S  S138  1  -0.000003  0.648843  0.614584  1
  S  S139  1  0.747902  0.043729  0.611356  1
  S  S140  1  0.832868  0.166443  0.610980  1
  S  S141  1  0.916382  0.289751  0.611119  1
  S  S142  1  -0.000002  0.412443  0.611303  1
  S  S143  1  0.916287  0.042190  0.610733  1
  S  S144  1  -0.000001  0.166021  0.610942  1
