# 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  0.749370  0.500031  1
  W  W2  1  0.087565  0.878601  0.500000  1
  W  W3  1  -0.000000  0.497241  0.500002  1
  W  W4  1  0.084829  0.619436  0.500001  1
  W  W5  1  0.172337  0.751205  0.499999  1
  W  W6  1  0.251530  0.876150  0.499999  1
  W  W7  1  -0.000000  0.247961  0.500002  1
  W  W8  1  0.086018  0.373438  0.500002  1
  W  W9  1  0.166117  0.497235  0.500002  1
  W  W10  1  0.250418  0.624766  0.499999  1
  W  W11  1  0.334764  0.751329  0.499997  1
  W  W12  1  0.418279  0.876184  0.500003  1
  W  W13  1  -0.000000  0.000097  0.499998  1
  W  W14  1  0.082526  0.125317  0.500000  1
  W  W15  1  0.166980  0.249612  0.500002  1
  W  W16  1  0.248745  0.374486  0.500001  1
  W  W17  1  0.333598  0.500334  0.500003  1
  W  W18  1  0.415925  0.625180  0.500001  1
  W  W19  1  0.500000  0.750807  0.500003  1
  W  W20  1  0.581721  0.876184  0.500003  1
  W  W21  1  0.169310  0.000439  0.500003  1
  W  W22  1  0.251908  0.125304  0.500002  1
  W  W23  1  0.333625  0.249611  0.500003  1
  W  W24  1  0.417703  0.375619  0.500001  1
  W  W25  1  0.500000  0.499533  0.500001  1
  W  W26  1  0.584076  0.625181  0.500002  1
  W  W27  1  0.665236  0.751328  0.500005  1
  W  W28  1  0.748471  0.876151  0.500002  1
  W  W29  1  0.334280  0.001640  0.500002  1
  W  W30  1  0.414516  0.126388  0.500002  1
  W  W31  1  0.500000  0.250780  0.500002  1
  W  W32  1  0.582297  0.375618  0.500000  1
  W  W33  1  0.666402  0.500333  0.500001  1
  W  W34  1  0.749581  0.624765  0.500003  1
  W  W35  1  0.827663  0.751205  0.500003  1
  W  W36  1  0.912435  0.878601  0.500001  1
  W  W37  1  0.500000  -0.000075  0.500002  1
  W  W38  1  0.585484  0.126388  0.500000  1
  W  W39  1  0.666375  0.249611  0.500000  1
  W  W40  1  0.751255  0.374486  0.500001  1
  W  W41  1  0.833883  0.497234  0.500001  1
  W  W42  1  0.915171  0.619436  0.500001  1
  W  W43  1  0.665719  0.001640  0.499999  1
  W  W44  1  0.748091  0.125303  0.499999  1
  W  W45  1  0.833020  0.249613  0.500000  1
  W  W46  1  0.913983  0.373439  0.500001  1
  W  W47  1  0.830690  0.000438  0.499999  1
  W  W48  1  0.917475  0.125317  0.500001  1
  S  S49  1  0.091647  0.795723  0.385941  1
  S  S50  1  0.169595  0.918392  0.387823  1
  S  S51  1  0.083347  0.537827  0.388018  1
  S  S52  1  0.166401  0.666466  0.390956  1
  S  S53  1  0.253051  0.793217  0.388029  1
  S  S54  1  0.334815  0.918113  0.388962  1
  S  S55  1  0.083240  0.290307  0.389251  1
  S  S56  1  0.167217  0.415515  0.387327  1
  S  S57  1  0.249617  0.541033  0.389700  1
  S  S58  1  0.333262  0.667257  0.389328  1
  S  S59  1  0.417563  0.792717  0.389036  1
  S  S60  1  0.500000  0.917668  0.387960  1
  S  S61  1  0.084054  0.041608  0.390006  1
  S  S62  1  0.167232  0.166218  0.389371  1
  S  S63  1  0.250368  0.291072  0.389028  1
  S  S64  1  0.333027  0.416475  0.389603  1
  S  S65  1  0.416887  0.541857  0.389202  1
  S  S66  1  0.500000  0.666829  0.389717  1
  S  S67  1  0.582438  0.792716  0.389036  1
  S  S68  1  0.665184  0.918112  0.388959  1
  S  S69  1  0.251223  0.042470  0.388514  1
  S  S70  1  0.333028  0.167657  0.387350  1
  S  S71  1  0.416826  0.292262  0.389174  1
  S  S72  1  0.500001  0.416948  0.388165  1
  S  S73  1  0.583113  0.541857  0.389202  1
  S  S74  1  0.666738  0.667257  0.389329  1
  S  S75  1  0.746949  0.793217  0.388031  1
  S  S76  1  0.830406  0.918392  0.387824  1
  S  S77  1  0.417444  0.042927  0.389338  1
  S  S78  1  0.500000  0.166980  0.389908  1
  S  S79  1  0.583175  0.292262  0.389175  1
  S  S80  1  0.666973  0.416475  0.389604  1
  S  S81  1  0.750384  0.541033  0.389699  1
  S  S82  1  0.833600  0.666467  0.390955  1
  S  S83  1  0.908353  0.795723  0.385941  1
  S  S84  1  -0.000000  0.916376  0.390778  1
  S  S85  1  0.582555  0.042928  0.389339  1
  S  S86  1  0.666972  0.167657  0.387351  1
  S  S87  1  0.749632  0.291072  0.389028  1
  S  S88  1  0.832783  0.415515  0.387328  1
  S  S89  1  0.916652  0.537826  0.388019  1
  S  S90  1  0.000000  0.657581  0.385824  1
  S  S91  1  0.748776  0.042469  0.388517  1
  S  S92  1  0.832769  0.166217  0.389374  1
  S  S93  1  0.916757  0.290307  0.389252  1
  S  S94  1  0.000000  0.413361  0.389929  1
  S  S95  1  0.915946  0.041608  0.390008  1
  S  S96  1  -0.000000  0.165925  0.387928  1
  S  S97  1  0.091656  0.795728  0.614071  1
  S  S98  1  0.169595  0.918394  0.612171  1
  S  S99  1  0.083348  0.537825  0.611979  1
  S  S100  1  0.166400  0.666467  0.609044  1
  S  S101  1  0.253052  0.793217  0.611967  1
  S  S102  1  0.334816  0.918112  0.611038  1
  S  S103  1  0.083241  0.290306  0.610744  1
  S  S104  1  0.167218  0.415515  0.612670  1
  S  S105  1  0.249616  0.541033  0.610299  1
  S  S106  1  0.333263  0.667258  0.610668  1
  S  S107  1  0.417562  0.792717  0.610962  1
  S  S108  1  0.500000  0.917668  0.612036  1
  S  S109  1  0.084054  0.041608  0.609988  1
  S  S110  1  0.167231  0.166217  0.610623  1
  S  S111  1  0.250368  0.291071  0.610969  1
  S  S112  1  0.333027  0.416475  0.610393  1
  S  S113  1  0.416887  0.541856  0.610796  1
  S  S114  1  0.500000  0.666829  0.610281  1
  S  S115  1  0.582438  0.792717  0.610961  1
  S  S116  1  0.665185  0.918113  0.611035  1
  S  S117  1  0.251223  0.042469  0.611476  1
  S  S118  1  0.333027  0.167657  0.612646  1
  S  S119  1  0.416825  0.292261  0.610823  1
  S  S120  1  0.500000  0.416948  0.611832  1
  S  S121  1  0.583113  0.541857  0.610796  1
  S  S122  1  0.666738  0.667257  0.610670  1
  S  S123  1  0.746948  0.793217  0.611968  1
  S  S124  1  0.830404  0.918392  0.612174  1
  S  S125  1  0.417443  0.042927  0.610658  1
  S  S126  1  0.500000  0.166980  0.610090  1
  S  S127  1  0.583175  0.292262  0.610824  1
  S  S128  1  0.666973  0.416475  0.610396  1
  S  S129  1  0.750384  0.541033  0.610299  1
  S  S130  1  0.833600  0.666467  0.609043  1
  S  S131  1  0.908343  0.795728  0.614070  1
  S  S132  1  0.000000  0.916376  0.609220  1
  S  S133  1  0.582556  0.042927  0.610659  1
  S  S134  1  0.666972  0.167657  0.612648  1
  S  S135  1  0.749632  0.291072  0.610971  1
  S  S136  1  0.832783  0.415515  0.612671  1
  S  S137  1  0.916652  0.537826  0.611979  1
  S  S138  1  -0.000000  0.657572  0.614187  1
  S  S139  1  0.748777  0.042470  0.611481  1
  S  S140  1  0.832769  0.166217  0.610625  1
  S  S141  1  0.916760  0.290306  0.610745  1
  S  S142  1  0.000000  0.413360  0.610070  1
  S  S143  1  0.915946  0.041608  0.609991  1
  S  S144  1  0.000000  0.165925  0.612069  1
