# generated using pymatgen
data_SnW47S96
_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   SnW47S96
_chemical_formula_sum   'Sn1 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
  Sn  Sn1  1  0.000000  0.751430  0.500000  1
  W  W2  1  0.085592  0.879315  0.500000  1
  W  W3  1  -0.000000  0.497844  0.500000  1
  W  W4  1  0.085386  0.618997  0.500000  1
  W  W5  1  0.173086  0.751721  0.500000  1
  W  W6  1  0.251812  0.876070  0.500000  1
  W  W7  1  0.000000  0.249636  0.500000  1
  W  W8  1  0.083708  0.373822  0.500000  1
  W  W9  1  0.167277  0.498293  0.500000  1
  W  W10  1  0.250673  0.624632  0.500000  1
  W  W11  1  0.334980  0.750296  0.500000  1
  W  W12  1  0.417362  0.875620  0.500000  1
  W  W13  1  0.000000  0.001037  0.500000  1
  W  W14  1  0.083620  0.125387  0.500000  1
  W  W15  1  0.167048  0.249764  0.500000  1
  W  W16  1  0.250604  0.374276  0.500000  1
  W  W17  1  0.333621  0.499451  0.500000  1
  W  W18  1  0.416944  0.624800  0.500000  1
  W  W19  1  0.500000  0.750001  0.500000  1
  W  W20  1  0.582638  0.875620  0.500000  1
  W  W21  1  0.167996  0.001213  0.500000  1
  W  W22  1  0.250610  0.125587  0.500000  1
  W  W23  1  0.333722  0.250037  0.500000  1
  W  W24  1  0.416851  0.374845  0.500000  1
  W  W25  1  0.500000  0.499706  0.500000  1
  W  W26  1  0.583056  0.624800  0.500000  1
  W  W27  1  0.665020  0.750296  0.500001  1
  W  W28  1  0.748188  0.876070  0.500000  1
  W  W29  1  0.334090  0.000984  0.500000  1
  W  W30  1  0.416969  0.125533  0.500000  1
  W  W31  1  0.500000  0.250225  0.500000  1
  W  W32  1  0.583149  0.374845  0.500000  1
  W  W33  1  0.666379  0.499451  0.500000  1
  W  W34  1  0.749327  0.624632  0.500001  1
  W  W35  1  0.826914  0.751721  0.500000  1
  W  W36  1  0.914408  0.879315  0.500000  1
  W  W37  1  0.500000  0.000670  0.500000  1
  W  W38  1  0.583031  0.125533  0.500000  1
  W  W39  1  0.666278  0.250037  0.500000  1
  W  W40  1  0.749396  0.374276  0.500000  1
  W  W41  1  0.832723  0.498293  0.500001  1
  W  W42  1  0.914614  0.618997  0.500000  1
  W  W43  1  0.665910  0.000984  0.500000  1
  W  W44  1  0.749390  0.125587  0.500000  1
  W  W45  1  0.832952  0.249764  0.500000  1
  W  W46  1  0.916292  0.373822  0.500000  1
  W  W47  1  0.832004  0.001213  0.500000  1
  W  W48  1  0.916380  0.125387  0.500000  1
  S  S49  1  0.091177  0.794908  0.388286  1
  S  S50  1  0.168877  0.918739  0.388578  1
  S  S51  1  0.084107  0.537858  0.387919  1
  S  S52  1  0.166560  0.666536  0.390775  1
  S  S53  1  0.253985  0.793025  0.388031  1
  S  S54  1  0.334576  0.917770  0.389138  1
  S  S55  1  0.083541  0.290924  0.389087  1
  S  S56  1  0.167292  0.415290  0.389095  1
  S  S57  1  0.250480  0.541136  0.389301  1
  S  S58  1  0.333872  0.666472  0.389199  1
  S  S59  1  0.417619  0.792088  0.389053  1
  S  S60  1  0.500000  0.917420  0.388949  1
  S  S61  1  0.083753  0.042362  0.389256  1
  S  S62  1  0.167037  0.166768  0.389101  1
  S  S63  1  0.250412  0.291265  0.389061  1
  S  S64  1  0.333651  0.416266  0.389081  1
  S  S65  1  0.416801  0.541361  0.389272  1
  S  S66  1  0.500000  0.666517  0.389124  1
  S  S67  1  0.582381  0.792088  0.389053  1
  S  S68  1  0.665424  0.917770  0.389137  1
  S  S69  1  0.250918  0.042660  0.388951  1
  S  S70  1  0.333792  0.167035  0.389016  1
  S  S71  1  0.416844  0.291729  0.389056  1
  S  S72  1  0.500000  0.416514  0.389118  1
  S  S73  1  0.583199  0.541361  0.389272  1
  S  S74  1  0.666128  0.666472  0.389199  1
  S  S75  1  0.746015  0.793025  0.388030  1
  S  S76  1  0.831123  0.918739  0.388577  1
  S  S77  1  0.417077  0.042430  0.388991  1
  S  S78  1  0.500000  0.167135  0.389010  1
  S  S79  1  0.583156  0.291729  0.389056  1
  S  S80  1  0.666349  0.416266  0.389081  1
  S  S81  1  0.749520  0.541136  0.389301  1
  S  S82  1  0.833440  0.666536  0.390775  1
  S  S83  1  0.908823  0.794908  0.388286  1
  S  S84  1  0.000000  0.917926  0.389556  1
  S  S85  1  0.582923  0.042430  0.388991  1
  S  S86  1  0.666208  0.167035  0.389016  1
  S  S87  1  0.749588  0.291265  0.389061  1
  S  S88  1  0.832708  0.415290  0.389095  1
  S  S89  1  0.915893  0.537858  0.387919  1
  S  S90  1  -0.000000  0.658896  0.388778  1
  S  S91  1  0.749082  0.042660  0.388951  1
  S  S92  1  0.832963  0.166768  0.389101  1
  S  S93  1  0.916459  0.290924  0.389087  1
  S  S94  1  0.000000  0.414838  0.389230  1
  S  S95  1  0.916247  0.042362  0.389256  1
  S  S96  1  0.000000  0.166608  0.389165  1
  S  S97  1  0.091177  0.794908  0.611714  1
  S  S98  1  0.168877  0.918739  0.611423  1
  S  S99  1  0.084107  0.537858  0.612081  1
  S  S100  1  0.166560  0.666536  0.609225  1
  S  S101  1  0.253985  0.793025  0.611969  1
  S  S102  1  0.334576  0.917770  0.610863  1
  S  S103  1  0.083541  0.290924  0.610913  1
  S  S104  1  0.167292  0.415290  0.610905  1
  S  S105  1  0.250480  0.541136  0.610699  1
  S  S106  1  0.333872  0.666472  0.610801  1
  S  S107  1  0.417619  0.792088  0.610947  1
  S  S108  1  0.500000  0.917420  0.611051  1
  S  S109  1  0.083753  0.042362  0.610744  1
  S  S110  1  0.167037  0.166768  0.610899  1
  S  S111  1  0.250412  0.291265  0.610939  1
  S  S112  1  0.333651  0.416266  0.610919  1
  S  S113  1  0.416801  0.541361  0.610728  1
  S  S114  1  0.500000  0.666517  0.610876  1
  S  S115  1  0.582381  0.792088  0.610947  1
  S  S116  1  0.665424  0.917770  0.610862  1
  S  S117  1  0.250918  0.042660  0.611049  1
  S  S118  1  0.333792  0.167035  0.610984  1
  S  S119  1  0.416844  0.291729  0.610944  1
  S  S120  1  0.500000  0.416514  0.610882  1
  S  S121  1  0.583199  0.541361  0.610728  1
  S  S122  1  0.666128  0.666472  0.610801  1
  S  S123  1  0.746015  0.793025  0.611969  1
  S  S124  1  0.831123  0.918739  0.611423  1
  S  S125  1  0.417077  0.042430  0.611009  1
  S  S126  1  0.500000  0.167135  0.610990  1
  S  S127  1  0.583156  0.291729  0.610944  1
  S  S128  1  0.666349  0.416266  0.610919  1
  S  S129  1  0.749520  0.541136  0.610699  1
  S  S130  1  0.833440  0.666536  0.609224  1
  S  S131  1  0.908823  0.794908  0.611714  1
  S  S132  1  -0.000000  0.917926  0.610445  1
  S  S133  1  0.582923  0.042430  0.611009  1
  S  S134  1  0.666208  0.167035  0.610984  1
  S  S135  1  0.749588  0.291265  0.610939  1
  S  S136  1  0.832708  0.415290  0.610905  1
  S  S137  1  0.915893  0.537858  0.612081  1
  S  S138  1  -0.000000  0.658896  0.611222  1
  S  S139  1  0.749082  0.042660  0.611049  1
  S  S140  1  0.832963  0.166768  0.610899  1
  S  S141  1  0.916459  0.290924  0.610913  1
  S  S142  1  -0.000000  0.414839  0.610770  1
  S  S143  1  0.916247  0.042362  0.610744  1
  S  S144  1  -0.000000  0.166608  0.610835  1
