# 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  0.749780  0.500000  1
  W  W2  1  0.087311  0.878780  0.500000  1
  W  W3  1  0.000000  0.498080  0.500000  1
  W  W4  1  0.085112  0.619982  0.500000  1
  W  W5  1  0.172341  0.751096  0.500000  1
  W  W6  1  0.251635  0.875961  0.500000  1
  W  W7  1  0.000000  0.248961  0.500000  1
  W  W8  1  0.084172  0.373279  0.500000  1
  W  W9  1  0.166084  0.497857  0.500000  1
  W  W10  1  0.250282  0.624782  0.500000  1
  W  W11  1  0.334684  0.751405  0.500000  1
  W  W12  1  0.417949  0.875548  0.500000  1
  W  W13  1  -0.000000  0.000246  0.500000  1
  W  W14  1  0.082774  0.124757  0.500000  1
  W  W15  1  0.166685  0.249949  0.500000  1
  W  W16  1  0.249548  0.374311  0.500000  1
  W  W17  1  0.333704  0.500368  0.500000  1
  W  W18  1  0.416438  0.624746  0.500000  1
  W  W19  1  0.500000  0.750690  0.500000  1
  W  W20  1  0.582051  0.875548  0.500000  1
  W  W21  1  0.168970  0.000550  0.500000  1
  W  W22  1  0.251067  0.125000  0.499999  1
  W  W23  1  0.333741  0.250096  0.499999  1
  W  W24  1  0.417422  0.374957  0.500000  1
  W  W25  1  0.500000  0.500351  0.500000  1
  W  W26  1  0.583562  0.624746  0.500000  1
  W  W27  1  0.665316  0.751405  0.500000  1
  W  W28  1  0.748365  0.875961  0.500000  1
  W  W29  1  0.334270  0.001477  0.499999  1
  W  W30  1  0.416446  0.125147  0.499999  1
  W  W31  1  0.500000  0.251083  0.499999  1
  W  W32  1  0.582578  0.374957  0.500000  1
  W  W33  1  0.666296  0.500368  0.500000  1
  W  W34  1  0.749718  0.624782  0.500000  1
  W  W35  1  0.827659  0.751096  0.500000  1
  W  W36  1  0.912689  0.878780  0.500000  1
  W  W37  1  0.500000  0.000687  0.499999  1
  W  W38  1  0.583554  0.125148  0.499999  1
  W  W39  1  0.666259  0.250096  0.500000  1
  W  W40  1  0.750452  0.374311  0.500000  1
  W  W41  1  0.833916  0.497857  0.500000  1
  W  W42  1  0.914888  0.619982  0.500000  1
  W  W43  1  0.665730  0.001477  0.500000  1
  W  W44  1  0.748933  0.125000  0.500000  1
  W  W45  1  0.833315  0.249949  0.500000  1
  W  W46  1  0.915828  0.373279  0.500000  1
  W  W47  1  0.831030  0.000550  0.500000  1
  W  W48  1  0.917226  0.124757  0.500000  1
  S  S49  1  0.091148  0.795637  0.386620  1
  S  S50  1  0.169585  0.918362  0.388041  1
  S  S51  1  0.083493  0.538460  0.388062  1
  S  S52  1  0.166642  0.666613  0.390755  1
  S  S53  1  0.252927  0.793141  0.387993  1
  S  S54  1  0.334904  0.917864  0.389240  1
  S  S55  1  0.083201  0.290518  0.389040  1
  S  S56  1  0.166823  0.415294  0.388850  1
  S  S57  1  0.249705  0.541180  0.389837  1
  S  S58  1  0.333500  0.667089  0.389772  1
  S  S59  1  0.417525  0.792341  0.389003  1
  S  S60  1  0.500000  0.917638  0.388923  1
  S  S61  1  0.083907  0.041468  0.389749  1
  S  S62  1  0.166860  0.166374  0.389615  1
  S  S63  1  0.250226  0.291261  0.389418  1
  S  S64  1  0.333444  0.416527  0.389752  1
  S  S65  1  0.416763  0.541734  0.389050  1
  S  S66  1  0.500000  0.666743  0.389674  1
  S  S67  1  0.582475  0.792341  0.389004  1
  S  S68  1  0.665096  0.917864  0.389240  1
  S  S69  1  0.251115  0.042463  0.388831  1
  S  S70  1  0.333689  0.167028  0.389250  1
  S  S71  1  0.416753  0.291952  0.389201  1
  S  S72  1  0.500000  0.417151  0.389114  1
  S  S73  1  0.583237  0.541734  0.389050  1
  S  S74  1  0.666500  0.667089  0.389772  1
  S  S75  1  0.747073  0.793141  0.387993  1
  S  S76  1  0.830415  0.918362  0.388041  1
  S  S77  1  0.417250  0.042348  0.388925  1
  S  S78  1  0.500000  0.167279  0.389562  1
  S  S79  1  0.583247  0.291952  0.389201  1
  S  S80  1  0.666557  0.416527  0.389752  1
  S  S81  1  0.750295  0.541180  0.389837  1
  S  S82  1  0.833358  0.666613  0.390755  1
  S  S83  1  0.908852  0.795637  0.386620  1
  S  S84  1  -0.000000  0.916645  0.390708  1
  S  S85  1  0.582750  0.042348  0.388925  1
  S  S86  1  0.666311  0.167028  0.389250  1
  S  S87  1  0.749774  0.291261  0.389418  1
  S  S88  1  0.833177  0.415294  0.388850  1
  S  S89  1  0.916507  0.538460  0.388062  1
  S  S90  1  -0.000000  0.658609  0.386561  1
  S  S91  1  0.748885  0.042463  0.388831  1
  S  S92  1  0.833140  0.166374  0.389615  1
  S  S93  1  0.916799  0.290518  0.389040  1
  S  S94  1  -0.000000  0.414490  0.389441  1
  S  S95  1  0.916093  0.041468  0.389749  1
  S  S96  1  -0.000000  0.166162  0.388827  1
  S  S97  1  0.091148  0.795637  0.613380  1
  S  S98  1  0.169585  0.918362  0.611959  1
  S  S99  1  0.083493  0.538460  0.611938  1
  S  S100  1  0.166642  0.666613  0.609245  1
  S  S101  1  0.252927  0.793141  0.612007  1
  S  S102  1  0.334904  0.917864  0.610760  1
  S  S103  1  0.083201  0.290518  0.610960  1
  S  S104  1  0.166823  0.415294  0.611150  1
  S  S105  1  0.249705  0.541180  0.610163  1
  S  S106  1  0.333500  0.667089  0.610228  1
  S  S107  1  0.417525  0.792341  0.610997  1
  S  S108  1  0.500000  0.917638  0.611078  1
  S  S109  1  0.083907  0.041468  0.610251  1
  S  S110  1  0.166860  0.166374  0.610386  1
  S  S111  1  0.250226  0.291261  0.610582  1
  S  S112  1  0.333443  0.416527  0.610248  1
  S  S113  1  0.416763  0.541734  0.610950  1
  S  S114  1  0.500000  0.666743  0.610327  1
  S  S115  1  0.582475  0.792341  0.610997  1
  S  S116  1  0.665096  0.917864  0.610760  1
  S  S117  1  0.251115  0.042463  0.611169  1
  S  S118  1  0.333689  0.167027  0.610750  1
  S  S119  1  0.416753  0.291952  0.610799  1
  S  S120  1  0.500000  0.417151  0.610886  1
  S  S121  1  0.583237  0.541734  0.610951  1
  S  S122  1  0.666500  0.667089  0.610228  1
  S  S123  1  0.747073  0.793141  0.612007  1
  S  S124  1  0.830415  0.918362  0.611959  1
  S  S125  1  0.417250  0.042348  0.611076  1
  S  S126  1  0.500000  0.167279  0.610439  1
  S  S127  1  0.583247  0.291952  0.610799  1
  S  S128  1  0.666556  0.416527  0.610248  1
  S  S129  1  0.750295  0.541180  0.610164  1
  S  S130  1  0.833358  0.666613  0.609245  1
  S  S131  1  0.908852  0.795637  0.613380  1
  S  S132  1  0.000000  0.916645  0.609292  1
  S  S133  1  0.582750  0.042348  0.611075  1
  S  S134  1  0.666311  0.167027  0.610750  1
  S  S135  1  0.749774  0.291261  0.610582  1
  S  S136  1  0.833177  0.415294  0.611150  1
  S  S137  1  0.916507  0.538460  0.611939  1
  S  S138  1  0.000000  0.658609  0.613440  1
  S  S139  1  0.748885  0.042463  0.611169  1
  S  S140  1  0.833140  0.166374  0.610386  1
  S  S141  1  0.916799  0.290518  0.610960  1
  S  S142  1  0.000000  0.414490  0.610559  1
  S  S143  1  0.916093  0.041468  0.610251  1
  S  S144  1  0.000000  0.166162  0.611173  1
