# 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  0.750097  0.500000  1
  W  W2  1  0.086741  0.879367  0.500000  1
  W  W3  1  0.000000  0.497725  0.500000  1
  W  W4  1  0.085563  0.620031  0.500000  1
  W  W5  1  0.172375  0.750667  0.500000  1
  W  W6  1  0.251769  0.876150  0.499999  1
  W  W7  1  -0.000000  0.249430  0.500000  1
  W  W8  1  0.083616  0.373721  0.500000  1
  W  W9  1  0.167109  0.498169  0.500000  1
  W  W10  1  0.250538  0.624563  0.500000  1
  W  W11  1  0.334761  0.750571  0.500000  1
  W  W12  1  0.417355  0.875638  0.500000  1
  W  W13  1  -0.000000  0.000720  0.500000  1
  W  W14  1  0.083638  0.125166  0.500000  1
  W  W15  1  0.167005  0.249621  0.500000  1
  W  W16  1  0.250455  0.374236  0.500000  1
  W  W17  1  0.333576  0.499568  0.500000  1
  W  W18  1  0.416924  0.624956  0.500000  1
  W  W19  1  0.500000  0.750228  0.500000  1
  W  W20  1  0.582645  0.875638  0.500000  1
  W  W21  1  0.168197  0.001179  0.499999  1
  W  W22  1  0.250669  0.125556  0.499999  1
  W  W23  1  0.333715  0.250037  0.500000  1
  W  W24  1  0.416824  0.374904  0.500000  1
  W  W25  1  0.500000  0.499863  0.500000  1
  W  W26  1  0.583076  0.624956  0.500000  1
  W  W27  1  0.665239  0.750571  0.500000  1
  W  W28  1  0.748231  0.876150  0.500000  1
  W  W29  1  0.334180  0.000957  0.499999  1
  W  W30  1  0.416972  0.125525  0.499999  1
  W  W31  1  0.500000  0.250234  0.499999  1
  W  W32  1  0.583176  0.374904  0.500000  1
  W  W33  1  0.666424  0.499568  0.500000  1
  W  W34  1  0.749462  0.624563  0.500000  1
  W  W35  1  0.827625  0.750667  0.500000  1
  W  W36  1  0.913259  0.879367  0.500000  1
  W  W37  1  0.500000  0.000698  0.500000  1
  W  W38  1  0.583028  0.125525  0.500000  1
  W  W39  1  0.666285  0.250037  0.500000  1
  W  W40  1  0.749545  0.374236  0.500000  1
  W  W41  1  0.832891  0.498169  0.500000  1
  W  W42  1  0.914437  0.620031  0.500000  1
  W  W43  1  0.665820  0.000957  0.500000  1
  W  W44  1  0.749331  0.125556  0.500000  1
  W  W45  1  0.832995  0.249621  0.500000  1
  W  W46  1  0.916384  0.373721  0.500000  1
  W  W47  1  0.831803  0.001179  0.500000  1
  W  W48  1  0.916362  0.125166  0.500000  1
  S  S49  1  0.090484  0.795533  0.388451  1
  S  S50  1  0.169377  0.918916  0.388294  1
  S  S51  1  0.084059  0.538250  0.388384  1
  S  S52  1  0.166988  0.666427  0.390316  1
  S  S53  1  0.253184  0.792818  0.388331  1
  S  S54  1  0.334599  0.917699  0.389140  1
  S  S55  1  0.083494  0.290790  0.389124  1
  S  S56  1  0.167121  0.415256  0.389085  1
  S  S57  1  0.250323  0.541057  0.389333  1
  S  S58  1  0.333771  0.666626  0.389349  1
  S  S59  1  0.417461  0.792169  0.389031  1
  S  S60  1  0.500000  0.917436  0.388993  1
  S  S61  1  0.083721  0.042105  0.389294  1
  S  S62  1  0.167014  0.166617  0.389128  1
  S  S63  1  0.250346  0.291221  0.389100  1
  S  S64  1  0.333550  0.416334  0.389184  1
  S  S65  1  0.416751  0.541536  0.389308  1
  S  S66  1  0.500000  0.666711  0.389214  1
  S  S67  1  0.582539  0.792169  0.389031  1
  S  S68  1  0.665401  0.917699  0.389140  1
  S  S69  1  0.251030  0.042661  0.388979  1
  S  S70  1  0.333805  0.167034  0.389036  1
  S  S71  1  0.416829  0.291775  0.389104  1
  S  S72  1  0.500000  0.416626  0.389183  1
  S  S73  1  0.583249  0.541536  0.389308  1
  S  S74  1  0.666229  0.666626  0.389349  1
  S  S75  1  0.746816  0.792818  0.388331  1
  S  S76  1  0.830623  0.918916  0.388294  1
  S  S77  1  0.417094  0.042418  0.388988  1
  S  S78  1  0.500000  0.167139  0.389038  1
  S  S79  1  0.583171  0.291775  0.389104  1
  S  S80  1  0.666450  0.416334  0.389184  1
  S  S81  1  0.749677  0.541057  0.389333  1
  S  S82  1  0.833012  0.666427  0.390316  1
  S  S83  1  0.909516  0.795533  0.388451  1
  S  S84  1  0.000000  0.917349  0.390200  1
  S  S85  1  0.582906  0.042418  0.388988  1
  S  S86  1  0.666195  0.167034  0.389036  1
  S  S87  1  0.749654  0.291221  0.389100  1
  S  S88  1  0.832879  0.415256  0.389085  1
  S  S89  1  0.915941  0.538250  0.388384  1
  S  S90  1  0.000000  0.658987  0.388542  1
  S  S91  1  0.748970  0.042661  0.388979  1
  S  S92  1  0.832986  0.166617  0.389128  1
  S  S93  1  0.916506  0.290790  0.389124  1
  S  S94  1  -0.000000  0.414823  0.389181  1
  S  S95  1  0.916279  0.042105  0.389294  1
  S  S96  1  0.000000  0.166386  0.389218  1
  S  S97  1  0.090484  0.795533  0.611549  1
  S  S98  1  0.169377  0.918916  0.611706  1
  S  S99  1  0.084059  0.538250  0.611616  1
  S  S100  1  0.166988  0.666427  0.609684  1
  S  S101  1  0.253184  0.792818  0.611670  1
  S  S102  1  0.334599  0.917699  0.610861  1
  S  S103  1  0.083494  0.290790  0.610877  1
  S  S104  1  0.167121  0.415256  0.610915  1
  S  S105  1  0.250323  0.541057  0.610667  1
  S  S106  1  0.333771  0.666626  0.610651  1
  S  S107  1  0.417461  0.792169  0.610969  1
  S  S108  1  0.500000  0.917436  0.611007  1
  S  S109  1  0.083721  0.042105  0.610706  1
  S  S110  1  0.167014  0.166617  0.610873  1
  S  S111  1  0.250346  0.291221  0.610901  1
  S  S112  1  0.333550  0.416334  0.610816  1
  S  S113  1  0.416751  0.541536  0.610692  1
  S  S114  1  0.500000  0.666711  0.610786  1
  S  S115  1  0.582539  0.792169  0.610969  1
  S  S116  1  0.665401  0.917699  0.610860  1
  S  S117  1  0.251030  0.042661  0.611022  1
  S  S118  1  0.333805  0.167034  0.610964  1
  S  S119  1  0.416829  0.291775  0.610897  1
  S  S120  1  0.500000  0.416626  0.610818  1
  S  S121  1  0.583249  0.541536  0.610692  1
  S  S122  1  0.666229  0.666626  0.610651  1
  S  S123  1  0.746816  0.792818  0.611670  1
  S  S124  1  0.830623  0.918916  0.611706  1
  S  S125  1  0.417094  0.042418  0.611012  1
  S  S126  1  0.500000  0.167139  0.610962  1
  S  S127  1  0.583171  0.291775  0.610897  1
  S  S128  1  0.666450  0.416334  0.610816  1
  S  S129  1  0.749677  0.541057  0.610667  1
  S  S130  1  0.833012  0.666427  0.609684  1
  S  S131  1  0.909516  0.795533  0.611549  1
  S  S132  1  -0.000000  0.917349  0.609800  1
  S  S133  1  0.582906  0.042418  0.611012  1
  S  S134  1  0.666195  0.167034  0.610964  1
  S  S135  1  0.749654  0.291221  0.610901  1
  S  S136  1  0.832879  0.415256  0.610915  1
  S  S137  1  0.915941  0.538250  0.611616  1
  S  S138  1  0.000000  0.658987  0.611458  1
  S  S139  1  0.748970  0.042661  0.611022  1
  S  S140  1  0.832986  0.166617  0.610873  1
  S  S141  1  0.916506  0.290790  0.610877  1
  S  S142  1  0.000000  0.414823  0.610819  1
  S  S143  1  0.916279  0.042105  0.610706  1
  S  S144  1  -0.000000  0.166386  0.610782  1
