# 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  0.749704  0.500000  1
  W  W2  1  0.087197  0.879714  0.500000  1
  W  W3  1  -0.000000  0.497639  0.500004  1
  W  W4  1  0.086048  0.619626  0.500001  1
  W  W5  1  0.173077  0.750600  0.500001  1
  W  W6  1  0.251909  0.876249  0.500000  1
  W  W7  1  0.000000  0.249190  0.500006  1
  W  W8  1  0.083666  0.373439  0.500006  1
  W  W9  1  0.166739  0.497836  0.500006  1
  W  W10  1  0.250460  0.624699  0.500002  1
  W  W11  1  0.334941  0.751103  0.500001  1
  W  W12  1  0.417544  0.875857  0.500000  1
  W  W13  1  0.000000  0.000462  0.500001  1
  W  W14  1  0.083677  0.124992  0.500003  1
  W  W15  1  0.167022  0.249454  0.500005  1
  W  W16  1  0.250408  0.374122  0.500006  1
  W  W17  1  0.333550  0.499577  0.500003  1
  W  W18  1  0.416930  0.625086  0.500001  1
  W  W19  1  0.500000  0.750513  0.500000  1
  W  W20  1  0.582456  0.875857  0.500000  1
  W  W21  1  0.168669  0.001060  0.500001  1
  W  W22  1  0.250774  0.125529  0.500002  1
  W  W23  1  0.333755  0.250022  0.500003  1
  W  W24  1  0.416811  0.374906  0.500003  1
  W  W25  1  0.500000  0.499960  0.500001  1
  W  W26  1  0.583070  0.625086  0.500001  1
  W  W27  1  0.665059  0.751103  0.500000  1
  W  W28  1  0.748091  0.876249  0.500000  1
  W  W29  1  0.334334  0.001148  0.500001  1
  W  W30  1  0.417033  0.125622  0.500001  1
  W  W31  1  0.500000  0.250270  0.500001  1
  W  W32  1  0.583189  0.374906  0.500002  1
  W  W33  1  0.666450  0.499577  0.500001  1
  W  W34  1  0.749540  0.624699  0.500001  1
  W  W35  1  0.826923  0.750600  0.500000  1
  W  W36  1  0.912803  0.879714  0.500000  1
  W  W37  1  0.500000  0.000873  0.500000  1
  W  W38  1  0.582967  0.125622  0.500001  1
  W  W39  1  0.666245  0.250022  0.500002  1
  W  W40  1  0.749592  0.374122  0.500003  1
  W  W41  1  0.833261  0.497836  0.500003  1
  W  W42  1  0.913952  0.619626  0.500001  1
  W  W43  1  0.665666  0.001148  0.500000  1
  W  W44  1  0.749226  0.125529  0.500002  1
  W  W45  1  0.832978  0.249454  0.500004  1
  W  W46  1  0.916333  0.373439  0.500006  1
  W  W47  1  0.831331  0.001060  0.500001  1
  W  W48  1  0.916322  0.124992  0.500003  1
  S  S49  1  0.090315  0.795315  0.389256  1
  S  S50  1  0.169688  0.918939  0.388006  1
  S  S51  1  0.083954  0.538073  0.388113  1
  S  S52  1  0.167196  0.666336  0.390497  1
  S  S53  1  0.253389  0.793054  0.388021  1
  S  S54  1  0.334696  0.917841  0.389210  1
  S  S55  1  0.083483  0.290556  0.389119  1
  S  S56  1  0.167048  0.415044  0.389059  1
  S  S57  1  0.250151  0.541001  0.389572  1
  S  S58  1  0.333813  0.666899  0.389546  1
  S  S59  1  0.417579  0.792456  0.388978  1
  S  S60  1  0.500000  0.917685  0.388918  1
  S  S61  1  0.083859  0.041896  0.389464  1
  S  S62  1  0.167029  0.166461  0.389157  1
  S  S63  1  0.250343  0.291114  0.389126  1
  S  S64  1  0.333507  0.416345  0.389257  1
  S  S65  1  0.416697  0.541644  0.389389  1
  S  S66  1  0.500000  0.666877  0.389317  1
  S  S67  1  0.582421  0.792455  0.388978  1
  S  S68  1  0.665304  0.917841  0.389210  1
  S  S69  1  0.251224  0.042701  0.388925  1
  S  S70  1  0.333862  0.167060  0.389038  1
  S  S71  1  0.416835  0.291808  0.389109  1
  S  S72  1  0.500000  0.416691  0.389241  1
  S  S73  1  0.583303  0.541644  0.389389  1
  S  S74  1  0.666187  0.666898  0.389546  1
  S  S75  1  0.746611  0.793054  0.388021  1
  S  S76  1  0.830312  0.918939  0.388006  1
  S  S77  1  0.417164  0.042567  0.388949  1
  S  S78  1  0.500000  0.167228  0.389001  1
  S  S79  1  0.583165  0.291808  0.389110  1
  S  S80  1  0.666494  0.416345  0.389258  1
  S  S81  1  0.749849  0.541001  0.389573  1
  S  S82  1  0.832804  0.666336  0.390498  1
  S  S83  1  0.909685  0.795315  0.389256  1
  S  S84  1  -0.000000  0.917242  0.390470  1
  S  S85  1  0.582836  0.042567  0.388950  1
  S  S86  1  0.666138  0.167060  0.389038  1
  S  S87  1  0.749657  0.291114  0.389127  1
  S  S88  1  0.832952  0.415044  0.389060  1
  S  S89  1  0.916046  0.538073  0.388113  1
  S  S90  1  -0.000000  0.659323  0.389154  1
  S  S91  1  0.748776  0.042701  0.388926  1
  S  S92  1  0.832971  0.166462  0.389157  1
  S  S93  1  0.916517  0.290556  0.389120  1
  S  S94  1  -0.000000  0.414671  0.389327  1
  S  S95  1  0.916141  0.041896  0.389464  1
  S  S96  1  0.000000  0.166137  0.389267  1
  S  S97  1  0.090315  0.795315  0.610744  1
  S  S98  1  0.169688  0.918939  0.611993  1
  S  S99  1  0.083954  0.538072  0.611883  1
  S  S100  1  0.167196  0.666335  0.609501  1
  S  S101  1  0.253389  0.793054  0.611979  1
  S  S102  1  0.334696  0.917841  0.610790  1
  S  S103  1  0.083482  0.290556  0.610876  1
  S  S104  1  0.167048  0.415044  0.610935  1
  S  S105  1  0.250151  0.541000  0.610424  1
  S  S106  1  0.333813  0.666898  0.610453  1
  S  S107  1  0.417579  0.792455  0.611022  1
  S  S108  1  0.500000  0.917685  0.611082  1
  S  S109  1  0.083859  0.041897  0.610534  1
  S  S110  1  0.167028  0.166462  0.610839  1
  S  S111  1  0.250343  0.291114  0.610869  1
  S  S112  1  0.333506  0.416344  0.610739  1
  S  S113  1  0.416697  0.541644  0.610610  1
  S  S114  1  0.500000  0.666877  0.610683  1
  S  S115  1  0.582421  0.792455  0.611022  1
  S  S116  1  0.665304  0.917841  0.610790  1
  S  S117  1  0.251224  0.042702  0.611073  1
  S  S118  1  0.333862  0.167060  0.610960  1
  S  S119  1  0.416835  0.291808  0.610888  1
  S  S120  1  0.500000  0.416691  0.610757  1
  S  S121  1  0.583303  0.541644  0.610610  1
  S  S122  1  0.666187  0.666898  0.610453  1
  S  S123  1  0.746611  0.793054  0.611979  1
  S  S124  1  0.830312  0.918939  0.611993  1
  S  S125  1  0.417164  0.042567  0.611050  1
  S  S126  1  0.500000  0.167228  0.610998  1
  S  S127  1  0.583165  0.291808  0.610889  1
  S  S128  1  0.666494  0.416344  0.610740  1
  S  S129  1  0.749849  0.541001  0.610425  1
  S  S130  1  0.832804  0.666335  0.609501  1
  S  S131  1  0.909685  0.795315  0.610744  1
  S  S132  1  0.000000  0.917242  0.609530  1
  S  S133  1  0.582836  0.042567  0.611050  1
  S  S134  1  0.666138  0.167060  0.610960  1
  S  S135  1  0.749657  0.291114  0.610870  1
  S  S136  1  0.832952  0.415044  0.610936  1
  S  S137  1  0.916046  0.538072  0.611883  1
  S  S138  1  0.000000  0.659323  0.610845  1
  S  S139  1  0.748776  0.042701  0.611073  1
  S  S140  1  0.832972  0.166462  0.610840  1
  S  S141  1  0.916518  0.290556  0.610876  1
  S  S142  1  0.000000  0.414671  0.610668  1
  S  S143  1  0.916141  0.041897  0.610534  1
  S  S144  1  0.000000  0.166138  0.610729  1
