# 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  0.749773  0.500000  1
  W  W2  1  0.087522  0.878712  0.500000  1
  W  W3  1  -0.000000  0.498083  0.500000  1
  W  W4  1  0.084918  0.619855  0.500000  1
  W  W5  1  0.172354  0.751266  0.499999  1
  W  W6  1  0.251492  0.875935  0.499999  1
  W  W7  1  0.000000  0.248689  0.500000  1
  W  W8  1  0.084781  0.373321  0.500000  1
  W  W9  1  0.166031  0.497699  0.500000  1
  W  W10  1  0.250364  0.624724  0.500000  1
  W  W11  1  0.334682  0.751439  0.500000  1
  W  W12  1  0.418163  0.875480  0.500000  1
  W  W13  1  -0.000000  0.000323  0.500000  1
  W  W14  1  0.082520  0.124822  0.500000  1
  W  W15  1  0.166880  0.250100  0.500000  1
  W  W16  1  0.249112  0.374244  0.500000  1
  W  W17  1  0.333687  0.500519  0.500000  1
  W  W18  1  0.416208  0.624657  0.500000  1
  W  W19  1  0.500000  0.750809  0.500000  1
  W  W20  1  0.581837  0.875480  0.500000  1
  W  W21  1  0.169147  0.000498  0.500000  1
  W  W22  1  0.251533  0.124933  0.500000  1
  W  W23  1  0.333698  0.250031  0.500000  1
  W  W24  1  0.417639  0.374855  0.500000  1
  W  W25  1  0.500000  0.500323  0.500000  1
  W  W26  1  0.583792  0.624657  0.500000  1
  W  W27  1  0.665318  0.751439  0.500000  1
  W  W28  1  0.748508  0.875934  0.500000  1
  W  W29  1  0.334144  0.001711  0.500000  1
  W  W30  1  0.415816  0.125349  0.500000  1
  W  W31  1  0.500000  0.251368  0.500000  1
  W  W32  1  0.582361  0.374855  0.500000  1
  W  W33  1  0.666313  0.500519  0.500000  1
  W  W34  1  0.749636  0.624724  0.500000  1
  W  W35  1  0.827646  0.751266  0.500000  1
  W  W36  1  0.912478  0.878712  0.500000  1
  W  W37  1  0.500000  0.000574  0.500000  1
  W  W38  1  0.584184  0.125349  0.500000  1
  W  W39  1  0.666302  0.250031  0.500000  1
  W  W40  1  0.750888  0.374244  0.500000  1
  W  W41  1  0.833969  0.497699  0.500000  1
  W  W42  1  0.915081  0.619855  0.500000  1
  W  W43  1  0.665856  0.001710  0.500000  1
  W  W44  1  0.748467  0.124933  0.500000  1
  W  W45  1  0.833120  0.250100  0.500000  1
  W  W46  1  0.915219  0.373321  0.500000  1
  W  W47  1  0.830853  0.000498  0.500000  1
  W  W48  1  0.917480  0.124822  0.500000  1
  S  S49  1  0.091347  0.795725  0.386289  1
  S  S50  1  0.169617  0.918371  0.387926  1
  S  S51  1  0.083471  0.538372  0.388009  1
  S  S52  1  0.166575  0.666611  0.390900  1
  S  S53  1  0.252958  0.793162  0.387937  1
  S  S54  1  0.334911  0.917906  0.389292  1
  S  S55  1  0.083208  0.290495  0.389134  1
  S  S56  1  0.166875  0.415404  0.388373  1
  S  S57  1  0.249622  0.541113  0.389789  1
  S  S58  1  0.333459  0.667131  0.389712  1
  S  S59  1  0.417494  0.792324  0.388903  1
  S  S60  1  0.500000  0.917622  0.388847  1
  S  S61  1  0.084014  0.041479  0.389795  1
  S  S62  1  0.167030  0.166312  0.389712  1
  S  S63  1  0.250314  0.291200  0.389185  1
  S  S64  1  0.333326  0.416433  0.389860  1
  S  S65  1  0.416759  0.541698  0.389007  1
  S  S66  1  0.500000  0.666730  0.389773  1
  S  S67  1  0.582507  0.792324  0.388903  1
  S  S68  1  0.665089  0.917906  0.389292  1
  S  S69  1  0.251086  0.042445  0.388576  1
  S  S70  1  0.333635  0.167234  0.388783  1
  S  S71  1  0.416651  0.291967  0.388984  1
  S  S72  1  0.500000  0.417142  0.389033  1
  S  S73  1  0.583241  0.541698  0.389008  1
  S  S74  1  0.666541  0.667131  0.389712  1
  S  S75  1  0.747042  0.793162  0.387937  1
  S  S76  1  0.830383  0.918371  0.387926  1
  S  S77  1  0.417273  0.042452  0.389038  1
  S  S78  1  0.500000  0.167334  0.389762  1
  S  S79  1  0.583349  0.291967  0.388984  1
  S  S80  1  0.666674  0.416434  0.389861  1
  S  S81  1  0.750378  0.541113  0.389789  1
  S  S82  1  0.833425  0.666611  0.390900  1
  S  S83  1  0.908654  0.795725  0.386289  1
  S  S84  1  0.000000  0.916602  0.390847  1
  S  S85  1  0.582727  0.042452  0.389038  1
  S  S86  1  0.666365  0.167234  0.388783  1
  S  S87  1  0.749686  0.291200  0.389185  1
  S  S88  1  0.833125  0.415404  0.388373  1
  S  S89  1  0.916529  0.538372  0.388009  1
  S  S90  1  -0.000000  0.658393  0.386208  1
  S  S91  1  0.748914  0.042445  0.388576  1
  S  S92  1  0.832970  0.166312  0.389712  1
  S  S93  1  0.916792  0.290495  0.389134  1
  S  S94  1  -0.000000  0.414303  0.389627  1
  S  S95  1  0.915985  0.041479  0.389795  1
  S  S96  1  -0.000000  0.166099  0.388607  1
  S  S97  1  0.091347  0.795725  0.613711  1
  S  S98  1  0.169617  0.918371  0.612074  1
  S  S99  1  0.083471  0.538372  0.611991  1
  S  S100  1  0.166575  0.666611  0.609101  1
  S  S101  1  0.252958  0.793162  0.612063  1
  S  S102  1  0.334910  0.917906  0.610708  1
  S  S103  1  0.083208  0.290495  0.610866  1
  S  S104  1  0.166875  0.415404  0.611628  1
  S  S105  1  0.249622  0.541113  0.610211  1
  S  S106  1  0.333459  0.667131  0.610288  1
  S  S107  1  0.417494  0.792324  0.611097  1
  S  S108  1  0.500000  0.917622  0.611153  1
  S  S109  1  0.084014  0.041479  0.610205  1
  S  S110  1  0.167030  0.166312  0.610288  1
  S  S111  1  0.250314  0.291200  0.610815  1
  S  S112  1  0.333326  0.416433  0.610140  1
  S  S113  1  0.416759  0.541698  0.610993  1
  S  S114  1  0.500000  0.666730  0.610227  1
  S  S115  1  0.582507  0.792324  0.611097  1
  S  S116  1  0.665090  0.917906  0.610708  1
  S  S117  1  0.251086  0.042445  0.611424  1
  S  S118  1  0.333635  0.167234  0.611217  1
  S  S119  1  0.416651  0.291967  0.611016  1
  S  S120  1  0.500000  0.417142  0.610967  1
  S  S121  1  0.583241  0.541698  0.610993  1
  S  S122  1  0.666541  0.667131  0.610288  1
  S  S123  1  0.747042  0.793162  0.612063  1
  S  S124  1  0.830383  0.918371  0.612074  1
  S  S125  1  0.417273  0.042452  0.610962  1
  S  S126  1  0.500000  0.167334  0.610238  1
  S  S127  1  0.583349  0.291967  0.611016  1
  S  S128  1  0.666674  0.416433  0.610140  1
  S  S129  1  0.750378  0.541113  0.610211  1
  S  S130  1  0.833425  0.666612  0.609101  1
  S  S131  1  0.908654  0.795725  0.613711  1
  S  S132  1  0.000000  0.916602  0.609153  1
  S  S133  1  0.582727  0.042452  0.610962  1
  S  S134  1  0.666365  0.167234  0.611217  1
  S  S135  1  0.749686  0.291200  0.610815  1
  S  S136  1  0.833125  0.415404  0.611628  1
  S  S137  1  0.916529  0.538372  0.611991  1
  S  S138  1  0.000000  0.658393  0.613792  1
  S  S139  1  0.748914  0.042445  0.611424  1
  S  S140  1  0.832970  0.166312  0.610288  1
  S  S141  1  0.916792  0.290495  0.610866  1
  S  S142  1  0.000000  0.414303  0.610373  1
  S  S143  1  0.915985  0.041479  0.610205  1
  S  S144  1  -0.000000  0.166099  0.611393  1
