# generated using pymatgen
data_TeW47S96
_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   TeW47S96
_chemical_formula_sum   'Te1 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
  Te  Te1  1  0.000000  0.749942  0.500000  1
  W  W2  1  0.085665  0.878319  0.500001  1
  W  W3  1  0.000000  0.497626  0.500000  1
  W  W4  1  0.085509  0.621503  0.500000  1
  W  W5  1  0.171077  0.750052  0.500001  1
  W  W6  1  0.252140  0.876139  0.500001  1
  W  W7  1  0.000000  0.249424  0.500001  1
  W  W8  1  0.082501  0.374595  0.500000  1
  W  W9  1  0.166767  0.498668  0.500000  1
  W  W10  1  0.249495  0.625191  0.500001  1
  W  W11  1  0.334418  0.750557  0.500001  1
  W  W12  1  0.416444  0.875694  0.500001  1
  W  W13  1  0.000000  -0.000518  0.500000  1
  W  W14  1  0.084540  0.125121  0.500001  1
  W  W15  1  0.167084  0.248765  0.500001  1
  W  W16  1  0.251307  0.374893  0.500000  1
  W  W17  1  0.333120  0.499162  0.500000  1
  W  W18  1  0.417306  0.625542  0.500001  1
  W  W19  1  0.500000  0.749509  0.500001  1
  W  W20  1  0.583556  0.875694  0.499999  1
  W  W21  1  0.167901  0.000694  0.500001  1
  W  W22  1  0.249446  0.125928  0.500000  1
  W  W23  1  0.333596  0.250090  0.500000  1
  W  W24  1  0.415389  0.375484  0.500000  1
  W  W25  1  0.500000  0.500144  0.500000  1
  W  W26  1  0.582694  0.625542  0.500000  1
  W  W27  1  0.665582  0.750557  0.500000  1
  W  W28  1  0.747860  0.876139  0.499999  1
  W  W29  1  0.333879  -0.000350  0.500001  1
  W  W30  1  0.417966  0.126141  0.499999  1
  W  W31  1  0.500000  0.249106  0.499999  1
  W  W32  1  0.584611  0.375484  0.500000  1
  W  W33  1  0.666880  0.499162  0.500000  1
  W  W34  1  0.750505  0.625191  0.500000  1
  W  W35  1  0.828923  0.750052  0.499999  1
  W  W36  1  0.914335  0.878319  0.500000  1
  W  W37  1  0.500000  0.000511  0.499999  1
  W  W38  1  0.582034  0.126141  0.500000  1
  W  W39  1  0.666404  0.250090  0.500000  1
  W  W40  1  0.748693  0.374893  0.500000  1
  W  W41  1  0.833233  0.498668  0.500000  1
  W  W42  1  0.914491  0.621503  0.500000  1
  W  W43  1  0.666121  -0.000350  0.499999  1
  W  W44  1  0.750554  0.125928  0.500000  1
  W  W45  1  0.832916  0.248765  0.500000  1
  W  W46  1  0.917499  0.374595  0.500000  1
  W  W47  1  0.832099  0.000694  0.499999  1
  W  W48  1  0.915460  0.125121  0.500000  1
  S  S49  1  0.091981  0.796014  0.384044  1
  S  S50  1  0.168857  0.918105  0.388818  1
  S  S51  1  0.083639  0.539201  0.388858  1
  S  S52  1  0.166516  0.666677  0.389644  1
  S  S53  1  0.252339  0.792644  0.388799  1
  S  S54  1  0.334329  0.917244  0.388372  1
  S  S55  1  0.083595  0.291019  0.389717  1
  S  S56  1  0.166929  0.415416  0.389654  1
  S  S57  1  0.250006  0.541494  0.389663  1
  S  S58  1  0.333419  0.666680  0.389638  1
  S  S59  1  0.417402  0.792082  0.389395  1
  S  S60  1  0.500000  0.917146  0.389460  1
  S  S61  1  0.083471  0.041656  0.389650  1
  S  S62  1  0.166771  0.166558  0.388359  1
  S  S63  1  0.250145  0.291419  0.389458  1
  S  S64  1  0.333276  0.416757  0.388388  1
  S  S65  1  0.416486  0.541776  0.389772  1
  S  S66  1  0.500000  0.666703  0.388728  1
  S  S67  1  0.582599  0.792082  0.389396  1
  S  S68  1  0.665671  0.917244  0.388373  1
  S  S69  1  0.250993  0.042448  0.389584  1
  S  S70  1  0.333632  0.166840  0.389486  1
  S  S71  1  0.416965  0.291888  0.389613  1
  S  S72  1  0.500000  0.416500  0.389969  1
  S  S73  1  0.583514  0.541776  0.389772  1
  S  S74  1  0.666581  0.666680  0.389639  1
  S  S75  1  0.747661  0.792644  0.388800  1
  S  S76  1  0.831143  0.918105  0.388819  1
  S  S77  1  0.416769  0.042360  0.389689  1
  S  S78  1  0.500000  0.167102  0.388011  1
  S  S79  1  0.583035  0.291888  0.389613  1
  S  S80  1  0.666724  0.416757  0.388389  1
  S  S81  1  0.749994  0.541494  0.389664  1
  S  S82  1  0.833483  0.666677  0.389644  1
  S  S83  1  0.908019  0.796014  0.384044  1
  S  S84  1  -0.000000  0.916533  0.389651  1
  S  S85  1  0.583231  0.042360  0.389690  1
  S  S86  1  0.666368  0.166840  0.389487  1
  S  S87  1  0.749855  0.291419  0.389459  1
  S  S88  1  0.833071  0.415416  0.389654  1
  S  S89  1  0.916361  0.539201  0.388859  1
  S  S90  1  -0.000000  0.657902  0.384146  1
  S  S91  1  0.749007  0.042448  0.389585  1
  S  S92  1  0.833229  0.166558  0.388360  1
  S  S93  1  0.916405  0.291019  0.389717  1
  S  S94  1  -0.000000  0.415467  0.388277  1
  S  S95  1  0.916529  0.041656  0.389651  1
  S  S96  1  -0.000000  0.166042  0.389815  1
  S  S97  1  0.091981  0.796014  0.615955  1
  S  S98  1  0.168857  0.918105  0.611181  1
  S  S99  1  0.083639  0.539201  0.611141  1
  S  S100  1  0.166517  0.666677  0.610355  1
  S  S101  1  0.252339  0.792644  0.611199  1
  S  S102  1  0.334329  0.917244  0.611627  1
  S  S103  1  0.083595  0.291019  0.610282  1
  S  S104  1  0.166929  0.415416  0.610346  1
  S  S105  1  0.250006  0.541494  0.610336  1
  S  S106  1  0.333419  0.666680  0.610361  1
  S  S107  1  0.417402  0.792082  0.610604  1
  S  S108  1  0.500000  0.917145  0.610540  1
  S  S109  1  0.083471  0.041656  0.610349  1
  S  S110  1  0.166771  0.166558  0.611640  1
  S  S111  1  0.250145  0.291419  0.610541  1
  S  S112  1  0.333276  0.416757  0.611612  1
  S  S113  1  0.416486  0.541776  0.610228  1
  S  S114  1  0.500000  0.666703  0.611271  1
  S  S115  1  0.582598  0.792082  0.610604  1
  S  S116  1  0.665671  0.917244  0.611628  1
  S  S117  1  0.250993  0.042448  0.610415  1
  S  S118  1  0.333632  0.166840  0.610514  1
  S  S119  1  0.416965  0.291888  0.610387  1
  S  S120  1  0.500000  0.416500  0.610031  1
  S  S121  1  0.583514  0.541776  0.610228  1
  S  S122  1  0.666581  0.666680  0.610361  1
  S  S123  1  0.747661  0.792644  0.611200  1
  S  S124  1  0.831143  0.918105  0.611182  1
  S  S125  1  0.416769  0.042360  0.610311  1
  S  S126  1  0.500000  0.167102  0.611990  1
  S  S127  1  0.583035  0.291888  0.610387  1
  S  S128  1  0.666724  0.416757  0.611612  1
  S  S129  1  0.749994  0.541494  0.610336  1
  S  S130  1  0.833484  0.666677  0.610356  1
  S  S131  1  0.908019  0.796014  0.615956  1
  S  S132  1  0.000000  0.916533  0.610349  1
  S  S133  1  0.583231  0.042360  0.610311  1
  S  S134  1  0.666368  0.166840  0.610515  1
  S  S135  1  0.749856  0.291419  0.610542  1
  S  S136  1  0.833071  0.415416  0.610346  1
  S  S137  1  0.916361  0.539201  0.611141  1
  S  S138  1  0.000000  0.657902  0.615854  1
  S  S139  1  0.749007  0.042448  0.610416  1
  S  S140  1  0.833229  0.166558  0.611641  1
  S  S141  1  0.916405  0.291019  0.610282  1
  S  S142  1  0.000000  0.415467  0.611723  1
  S  S143  1  0.916529  0.041656  0.610350  1
  S  S144  1  0.000000  0.166042  0.610184  1
