# generated using pymatgen
data_W47S96Cl
_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   W47S96Cl
_chemical_formula_sum   'W47 S96 Cl1'
_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
  W  W1  1  0.091426  0.879170  0.500000  1
  W  W2  1  0.000000  0.494287  0.500002  1
  W  W3  1  0.083441  0.616239  0.500000  1
  W  W4  1  0.174718  0.753928  0.499999  1
  W  W5  1  0.254661  0.877766  0.499999  1
  W  W6  1  -0.000000  0.247949  0.500005  1
  W  W7  1  0.083686  0.371797  0.500004  1
  W  W8  1  0.167065  0.496261  0.500001  1
  W  W9  1  0.248974  0.625327  0.499999  1
  W  W10  1  0.336228  0.751573  0.499998  1
  W  W11  1  0.418156  0.876679  0.500000  1
  W  W12  1  0.000000  -0.001214  0.500002  1
  W  W13  1  0.083630  0.123975  0.500003  1
  W  W14  1  0.167106  0.248639  0.500004  1
  W  W15  1  0.250423  0.373525  0.500003  1
  W  W16  1  0.333074  0.500055  0.500000  1
  W  W17  1  0.416501  0.625537  0.499998  1
  W  W18  1  0.500000  0.751144  0.499997  1
  W  W19  1  0.581844  0.876679  0.500000  1
  W  W20  1  0.169780  0.001855  0.500001  1
  W  W21  1  0.251311  0.125738  0.500003  1
  W  W22  1  0.333904  0.250250  0.500004  1
  W  W23  1  0.416724  0.375465  0.500004  1
  W  W24  1  0.500000  0.500486  0.500001  1
  W  W25  1  0.583499  0.625537  0.499999  1
  W  W26  1  0.663772  0.751573  0.499999  1
  W  W27  1  0.745340  0.877766  0.500000  1
  W  W28  1  0.335252  0.001978  0.500002  1
  W  W29  1  0.417261  0.126356  0.500005  1
  W  W30  1  0.500000  0.250998  0.500006  1
  W  W31  1  0.583277  0.375466  0.500003  1
  W  W32  1  0.666926  0.500055  0.500001  1
  W  W33  1  0.751026  0.625327  0.500000  1
  W  W34  1  0.825283  0.753928  0.500000  1
  W  W35  1  0.908575  0.879170  0.500000  1
  W  W36  1  0.500000  0.001752  0.500003  1
  W  W37  1  0.582740  0.126356  0.500006  1
  W  W38  1  0.666096  0.250250  0.500006  1
  W  W39  1  0.749577  0.373525  0.500006  1
  W  W40  1  0.832935  0.496261  0.500003  1
  W  W41  1  0.916561  0.616239  0.500000  1
  W  W42  1  0.664748  0.001978  0.500003  1
  W  W43  1  0.748690  0.125738  0.500005  1
  W  W44  1  0.832894  0.248639  0.500006  1
  W  W45  1  0.916314  0.371798  0.500006  1
  W  W46  1  0.830220  0.001854  0.500002  1
  W  W47  1  0.916369  0.123974  0.500005  1
  S  S48  1  0.094764  0.797384  0.391705  1
  S  S49  1  0.172478  0.920142  0.387723  1
  S  S50  1  0.083740  0.534856  0.387843  1
  S  S51  1  0.164122  0.667720  0.392165  1
  S  S52  1  0.255988  0.794586  0.387830  1
  S  S53  1  0.336360  0.919070  0.388412  1
  S  S54  1  0.083499  0.289187  0.388970  1
  S  S55  1  0.167078  0.413693  0.388914  1
  S  S56  1  0.249473  0.541400  0.389665  1
  S  S57  1  0.333013  0.667142  0.389686  1
  S  S58  1  0.418213  0.793115  0.388714  1
  S  S59  1  0.500000  0.918584  0.388646  1
  S  S60  1  0.083696  0.040861  0.389476  1
  S  S61  1  0.167013  0.165760  0.389165  1
  S  S62  1  0.250311  0.290675  0.389033  1
  S  S63  1  0.333215  0.416691  0.389367  1
  S  S64  1  0.416438  0.542098  0.389539  1
  S  S65  1  0.500000  0.667239  0.389533  1
  S  S66  1  0.581787  0.793115  0.388714  1
  S  S67  1  0.663640  0.919070  0.388411  1
  S  S68  1  0.252110  0.043315  0.388671  1
  S  S69  1  0.334123  0.167515  0.388876  1
  S  S70  1  0.416807  0.292449  0.389118  1
  S  S71  1  0.499999  0.417295  0.389305  1
  S  S72  1  0.583561  0.542098  0.389538  1
  S  S73  1  0.666987  0.667142  0.389685  1
  S  S74  1  0.744013  0.794586  0.387830  1
  S  S75  1  0.827522  0.920141  0.387723  1
  S  S76  1  0.417568  0.043493  0.388699  1
  S  S77  1  0.500000  0.168076  0.388919  1
  S  S78  1  0.583191  0.292448  0.389116  1
  S  S79  1  0.666785  0.416691  0.389365  1
  S  S80  1  0.750526  0.541401  0.389664  1
  S  S81  1  0.835878  0.667720  0.392165  1
  S  S82  1  0.905235  0.797385  0.391702  1
  S  S83  1  0.000000  0.914044  0.392003  1
  S  S84  1  0.582432  0.043493  0.388700  1
  S  S85  1  0.665877  0.167514  0.388874  1
  S  S86  1  0.749689  0.290676  0.389030  1
  S  S87  1  0.832922  0.413693  0.388912  1
  S  S88  1  0.916260  0.534857  0.387843  1
  S  S89  1  0.000000  0.655298  0.392613  1
  S  S90  1  0.747890  0.043315  0.388671  1
  S  S91  1  0.832987  0.165760  0.389164  1
  S  S92  1  0.916501  0.289187  0.388969  1
  S  S93  1  0.000000  0.412171  0.388635  1
  S  S94  1  0.916304  0.040861  0.389476  1
  S  S95  1  -0.000000  0.165013  0.389228  1
  S  S96  1  0.094764  0.797384  0.608295  1
  S  S97  1  0.172478  0.920142  0.612277  1
  S  S98  1  0.083739  0.534856  0.612156  1
  S  S99  1  0.164122  0.667720  0.607835  1
  S  S100  1  0.255987  0.794586  0.612172  1
  S  S101  1  0.336360  0.919070  0.611589  1
  S  S102  1  0.083499  0.289187  0.611026  1
  S  S103  1  0.167078  0.413692  0.611084  1
  S  S104  1  0.249473  0.541400  0.610335  1
  S  S105  1  0.333013  0.667142  0.610316  1
  S  S106  1  0.418214  0.793115  0.611287  1
  S  S107  1  0.500000  0.918584  0.611354  1
  S  S108  1  0.083696  0.040861  0.610522  1
  S  S109  1  0.167014  0.165760  0.610832  1
  S  S110  1  0.250311  0.290675  0.610964  1
  S  S111  1  0.333215  0.416690  0.610632  1
  S  S112  1  0.416438  0.542098  0.610461  1
  S  S113  1  0.500000  0.667239  0.610469  1
  S  S114  1  0.581786  0.793115  0.611286  1
  S  S115  1  0.663640  0.919070  0.611588  1
  S  S116  1  0.252109  0.043316  0.611327  1
  S  S117  1  0.334123  0.167515  0.611120  1
  S  S118  1  0.416809  0.292448  0.610878  1
  S  S119  1  0.500000  0.417295  0.610692  1
  S  S120  1  0.583561  0.542097  0.610460  1
  S  S121  1  0.666987  0.667142  0.610315  1
  S  S122  1  0.744014  0.794586  0.612172  1
  S  S123  1  0.827522  0.920142  0.612277  1
  S  S124  1  0.417568  0.043493  0.611299  1
  S  S125  1  0.500000  0.168076  0.611076  1
  S  S126  1  0.583192  0.292449  0.610877  1
  S  S127  1  0.666785  0.416690  0.610630  1
  S  S128  1  0.750527  0.541401  0.610335  1
  S  S129  1  0.835878  0.667720  0.607835  1
  S  S130  1  0.905235  0.797385  0.608297  1
  S  S131  1  0.000000  0.914044  0.607996  1
  S  S132  1  0.582432  0.043493  0.611298  1
  S  S133  1  0.665878  0.167515  0.611119  1
  S  S134  1  0.749689  0.290675  0.610962  1
  S  S135  1  0.832922  0.413692  0.611082  1
  S  S136  1  0.916260  0.534856  0.612155  1
  S  S137  1  0.000000  0.655298  0.607387  1
  S  S138  1  0.747891  0.043316  0.611327  1
  S  S139  1  0.832986  0.165760  0.610831  1
  S  S140  1  0.916500  0.289187  0.611025  1
  S  S141  1  -0.000000  0.412171  0.611361  1
  S  S142  1  0.916304  0.040861  0.610521  1
  S  S143  1  -0.000000  0.165012  0.610769  1
  Cl  Cl144  1  -0.000001  0.750355  0.500000  1
