# 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  0.749722  0.500000  1
  W  W2  1  0.087154  0.879501  0.500000  1
  W  W3  1  0.000000  0.497786  0.500000  1
  W  W4  1  0.085882  0.619766  0.500000  1
  W  W5  1  0.172879  0.750658  0.500000  1
  W  W6  1  0.251833  0.876154  0.500000  1
  W  W7  1  0.000000  0.249159  0.500000  1
  W  W8  1  0.083731  0.373471  0.500000  1
  W  W9  1  0.166538  0.497898  0.500000  1
  W  W10  1  0.250366  0.624763  0.500000  1
  W  W11  1  0.334825  0.751168  0.500000  1
  W  W12  1  0.417583  0.875764  0.500000  1
  W  W13  1  -0.000000  0.000336  0.500000  1
  W  W14  1  0.083519  0.124930  0.500000  1
  W  W15  1  0.166926  0.249517  0.500000  1
  W  W16  1  0.250257  0.374230  0.500000  1
  W  W17  1  0.333580  0.499750  0.500000  1
  W  W18  1  0.416829  0.625044  0.500000  1
  W  W19  1  0.500000  0.750511  0.500000  1
  W  W20  1  0.582417  0.875764  0.500000  1
  W  W21  1  0.168721  0.000878  0.500000  1
  W  W22  1  0.250746  0.125397  0.500000  1
  W  W23  1  0.333748  0.250054  0.500000  1
  W  W24  1  0.416868  0.374968  0.500000  1
  W  W25  1  0.500000  0.500067  0.500000  1
  W  W26  1  0.583171  0.625044  0.500000  1
  W  W27  1  0.665175  0.751168  0.500000  1
  W  W28  1  0.748167  0.876154  0.500000  1
  W  W29  1  0.334275  0.001134  0.500000  1
  W  W30  1  0.416983  0.125520  0.500000  1
  W  W31  1  0.500000  0.250373  0.500000  1
  W  W32  1  0.583132  0.374968  0.500000  1
  W  W33  1  0.666420  0.499750  0.500000  1
  W  W34  1  0.749634  0.624763  0.500000  1
  W  W35  1  0.827121  0.750658  0.500000  1
  W  W36  1  0.912846  0.879501  0.500000  1
  W  W37  1  0.500000  0.000794  0.500000  1
  W  W38  1  0.583017  0.125520  0.500000  1
  W  W39  1  0.666252  0.250054  0.500000  1
  W  W40  1  0.749743  0.374230  0.500000  1
  W  W41  1  0.833462  0.497898  0.500000  1
  W  W42  1  0.914118  0.619766  0.500000  1
  W  W43  1  0.665725  0.001134  0.500000  1
  W  W44  1  0.749254  0.125397  0.500000  1
  W  W45  1  0.833074  0.249517  0.500000  1
  W  W46  1  0.916269  0.373471  0.500000  1
  W  W47  1  0.831279  0.000878  0.500000  1
  W  W48  1  0.916481  0.124930  0.500000  1
  S  S49  1  0.090524  0.795404  0.388604  1
  S  S50  1  0.169640  0.918753  0.388032  1
  S  S51  1  0.083821  0.538215  0.388114  1
  S  S52  1  0.167051  0.666416  0.390526  1
  S  S53  1  0.253231  0.793064  0.388033  1
  S  S54  1  0.334716  0.917804  0.389238  1
  S  S55  1  0.083404  0.290571  0.389172  1
  S  S56  1  0.166992  0.415130  0.389087  1
  S  S57  1  0.250031  0.541078  0.389689  1
  S  S58  1  0.333713  0.666946  0.389634  1
  S  S59  1  0.417556  0.792409  0.389039  1
  S  S60  1  0.500000  0.917642  0.388968  1
  S  S61  1  0.083850  0.041765  0.389585  1
  S  S62  1  0.166956  0.166435  0.389282  1
  S  S63  1  0.250296  0.291185  0.389281  1
  S  S64  1  0.333485  0.416435  0.389391  1
  S  S65  1  0.416719  0.541680  0.389355  1
  S  S66  1  0.500000  0.666838  0.389420  1
  S  S67  1  0.582444  0.792409  0.389040  1
  S  S68  1  0.665284  0.917804  0.389238  1
  S  S69  1  0.251184  0.042627  0.388969  1
  S  S70  1  0.333795  0.167017  0.389183  1
  S  S71  1  0.416846  0.291846  0.389217  1
  S  S72  1  0.500000  0.416810  0.389288  1
  S  S73  1  0.583281  0.541680  0.389355  1
  S  S74  1  0.666287  0.666946  0.389634  1
  S  S75  1  0.746769  0.793064  0.388033  1
  S  S76  1  0.830360  0.918753  0.388032  1
  S  S77  1  0.417174  0.042477  0.389013  1
  S  S78  1  0.500000  0.167214  0.389148  1
  S  S79  1  0.583154  0.291846  0.389217  1
  S  S80  1  0.666515  0.416435  0.389391  1
  S  S81  1  0.749969  0.541078  0.389690  1
  S  S82  1  0.832949  0.666416  0.390526  1
  S  S83  1  0.909476  0.795404  0.388604  1
  S  S84  1  -0.000000  0.917086  0.390499  1
  S  S85  1  0.582826  0.042477  0.389013  1
  S  S86  1  0.666205  0.167017  0.389183  1
  S  S87  1  0.749704  0.291185  0.389281  1
  S  S88  1  0.833008  0.415130  0.389088  1
  S  S89  1  0.916179  0.538215  0.388114  1
  S  S90  1  -0.000000  0.659140  0.388514  1
  S  S91  1  0.748816  0.042627  0.388969  1
  S  S92  1  0.833044  0.166435  0.389282  1
  S  S93  1  0.916596  0.290571  0.389172  1
  S  S94  1  -0.000000  0.414687  0.389382  1
  S  S95  1  0.916150  0.041765  0.389586  1
  S  S96  1  -0.000000  0.166145  0.389232  1
  S  S97  1  0.090524  0.795404  0.611396  1
  S  S98  1  0.169640  0.918753  0.611968  1
  S  S99  1  0.083821  0.538215  0.611886  1
  S  S100  1  0.167051  0.666416  0.609474  1
  S  S101  1  0.253231  0.793064  0.611967  1
  S  S102  1  0.334716  0.917804  0.610762  1
  S  S103  1  0.083404  0.290571  0.610828  1
  S  S104  1  0.166992  0.415130  0.610912  1
  S  S105  1  0.250031  0.541078  0.610310  1
  S  S106  1  0.333713  0.666946  0.610366  1
  S  S107  1  0.417556  0.792409  0.610960  1
  S  S108  1  0.500000  0.917642  0.611032  1
  S  S109  1  0.083850  0.041765  0.610414  1
  S  S110  1  0.166956  0.166435  0.610718  1
  S  S111  1  0.250296  0.291185  0.610719  1
  S  S112  1  0.333485  0.416435  0.610609  1
  S  S113  1  0.416719  0.541680  0.610645  1
  S  S114  1  0.500000  0.666838  0.610580  1
  S  S115  1  0.582444  0.792409  0.610961  1
  S  S116  1  0.665284  0.917804  0.610762  1
  S  S117  1  0.251184  0.042627  0.611031  1
  S  S118  1  0.333795  0.167017  0.610817  1
  S  S119  1  0.416846  0.291846  0.610783  1
  S  S120  1  0.500000  0.416810  0.610712  1
  S  S121  1  0.583281  0.541680  0.610645  1
  S  S122  1  0.666287  0.666946  0.610366  1
  S  S123  1  0.746769  0.793064  0.611967  1
  S  S124  1  0.830360  0.918753  0.611968  1
  S  S125  1  0.417174  0.042477  0.610987  1
  S  S126  1  0.500000  0.167214  0.610852  1
  S  S127  1  0.583154  0.291846  0.610783  1
  S  S128  1  0.666514  0.416436  0.610608  1
  S  S129  1  0.749969  0.541078  0.610311  1
  S  S130  1  0.832949  0.666416  0.609474  1
  S  S131  1  0.909476  0.795404  0.611396  1
  S  S132  1  0.000000  0.917086  0.609500  1
  S  S133  1  0.582826  0.042477  0.610987  1
  S  S134  1  0.666205  0.167017  0.610817  1
  S  S135  1  0.749704  0.291185  0.610719  1
  S  S136  1  0.833008  0.415130  0.610913  1
  S  S137  1  0.916179  0.538215  0.611886  1
  S  S138  1  0.000000  0.659140  0.611486  1
  S  S139  1  0.748816  0.042627  0.611031  1
  S  S140  1  0.833044  0.166435  0.610718  1
  S  S141  1  0.916596  0.290571  0.610828  1
  S  S142  1  0.000000  0.414687  0.610618  1
  S  S143  1  0.916150  0.041765  0.610414  1
  S  S144  1  0.000000  0.166145  0.610768  1
