# 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  -0.000007  0.746469  0.500000  1
  W  W2  1  0.089685  0.879337  0.499998  1
  W  W3  1  0.000000  0.496950  0.500001  1
  W  W4  1  0.085265  0.619363  0.500000  1
  W  W5  1  0.172483  0.750992  0.499999  1
  W  W6  1  0.252380  0.876601  0.499998  1
  W  W7  1  0.000000  0.249619  0.499998  1
  W  W8  1  0.083718  0.373580  0.500000  1
  W  W9  1  0.167866  0.497649  0.500001  1
  W  W10  1  0.250392  0.624332  0.500000  1
  W  W11  1  0.335276  0.750190  0.499997  1
  W  W12  1  0.417589  0.875596  0.499995  1
  W  W13  1  -0.000000  0.000450  0.499997  1
  W  W14  1  0.083684  0.125487  0.499998  1
  W  W15  1  0.166951  0.249791  0.499998  1
  W  W16  1  0.250624  0.374042  0.499999  1
  W  W17  1  0.333739  0.499470  0.499999  1
  W  W18  1  0.417087  0.624693  0.499998  1
  W  W19  1  0.500000  0.749847  0.499995  1
  W  W20  1  0.582411  0.875596  0.499994  1
  W  W21  1  0.168195  0.002179  0.499997  1
  W  W22  1  0.250704  0.126027  0.499996  1
  W  W23  1  0.333798  0.250236  0.499997  1
  W  W24  1  0.416898  0.374955  0.499998  1
  W  W25  1  0.500000  0.499595  0.499998  1
  W  W26  1  0.582914  0.624693  0.499997  1
  W  W27  1  0.664724  0.750190  0.499996  1
  W  W28  1  0.747620  0.876601  0.499997  1
  W  W29  1  0.334432  0.001228  0.499995  1
  W  W30  1  0.416990  0.125720  0.499995  1
  W  W31  1  0.500000  0.250290  0.499997  1
  W  W32  1  0.583102  0.374955  0.499997  1
  W  W33  1  0.666261  0.499470  0.499998  1
  W  W34  1  0.749607  0.624331  0.499999  1
  W  W35  1  0.827520  0.750990  0.499999  1
  W  W36  1  0.910315  0.879337  0.499998  1
  W  W37  1  0.500000  0.000712  0.499994  1
  W  W38  1  0.583010  0.125720  0.499995  1
  W  W39  1  0.666202  0.250236  0.499995  1
  W  W40  1  0.749376  0.374042  0.499998  1
  W  W41  1  0.832135  0.497649  0.499999  1
  W  W42  1  0.914733  0.619367  0.500000  1
  W  W43  1  0.665568  0.001228  0.499995  1
  W  W44  1  0.749296  0.126027  0.499995  1
  W  W45  1  0.833049  0.249791  0.499997  1
  W  W46  1  0.916282  0.373580  0.500000  1
  W  W47  1  0.831805  0.002179  0.499996  1
  W  W48  1  0.916316  0.125487  0.499997  1
  S  S49  1  0.092266  0.797442  0.388786  1
  S  S50  1  0.170997  0.920263  0.388037  1
  S  S51  1  0.084518  0.537120  0.388644  1
  S  S52  1  0.167229  0.666550  0.390121  1
  S  S53  1  0.254006  0.792966  0.388604  1
  S  S54  1  0.335097  0.917927  0.388925  1
  S  S55  1  0.083471  0.290799  0.388891  1
  S  S56  1  0.167365  0.414833  0.388892  1
  S  S57  1  0.250579  0.540767  0.389136  1
  S  S58  1  0.333867  0.666297  0.389357  1
  S  S59  1  0.417765  0.792081  0.388908  1
  S  S60  1  0.500000  0.917487  0.388798  1
  S  S61  1  0.083474  0.042455  0.389235  1
  S  S62  1  0.167010  0.166922  0.388911  1
  S  S63  1  0.250397  0.291161  0.388896  1
  S  S64  1  0.333639  0.416266  0.389036  1
  S  S65  1  0.416915  0.541339  0.389140  1
  S  S66  1  0.500000  0.666382  0.388951  1
  S  S67  1  0.582235  0.792081  0.388908  1
  S  S68  1  0.664903  0.917926  0.388926  1
  S  S69  1  0.251385  0.043274  0.388924  1
  S  S70  1  0.333898  0.167324  0.388898  1
  S  S71  1  0.416912  0.291883  0.388962  1
  S  S72  1  0.500000  0.416497  0.388925  1
  S  S73  1  0.583085  0.541339  0.389140  1
  S  S74  1  0.666133  0.666297  0.389357  1
  S  S75  1  0.745995  0.792966  0.388605  1
  S  S76  1  0.829003  0.920263  0.388037  1
  S  S77  1  0.417249  0.042642  0.388861  1
  S  S78  1  0.500000  0.167259  0.388889  1
  S  S79  1  0.583088  0.291883  0.388962  1
  S  S80  1  0.666361  0.416266  0.389036  1
  S  S81  1  0.749421  0.540767  0.389136  1
  S  S82  1  0.832770  0.666549  0.390119  1
  S  S83  1  0.907734  0.797443  0.388785  1
  S  S84  1  0.000000  0.916372  0.391142  1
  S  S85  1  0.582751  0.042642  0.388861  1
  S  S86  1  0.666102  0.167324  0.388899  1
  S  S87  1  0.749604  0.291161  0.388896  1
  S  S88  1  0.832635  0.414833  0.388892  1
  S  S89  1  0.915483  0.537121  0.388644  1
  S  S90  1  0.000002  0.656005  0.388046  1
  S  S91  1  0.748615  0.043273  0.388924  1
  S  S92  1  0.832990  0.166922  0.388910  1
  S  S93  1  0.916529  0.290799  0.388890  1
  S  S94  1  0.000000  0.414312  0.388856  1
  S  S95  1  0.916526  0.042455  0.389235  1
  S  S96  1  0.000000  0.166647  0.389117  1
  S  S97  1  0.092266  0.797442  0.611216  1
  S  S98  1  0.170997  0.920263  0.611967  1
  S  S99  1  0.084517  0.537120  0.611358  1
  S  S100  1  0.167229  0.666549  0.609882  1
  S  S101  1  0.254006  0.792966  0.611399  1
  S  S102  1  0.335097  0.917927  0.611079  1
  S  S103  1  0.083470  0.290799  0.611110  1
  S  S104  1  0.167365  0.414833  0.611109  1
  S  S105  1  0.250579  0.540767  0.610866  1
  S  S106  1  0.333867  0.666297  0.610645  1
  S  S107  1  0.417765  0.792081  0.611095  1
  S  S108  1  0.500000  0.917487  0.611207  1
  S  S109  1  0.083474  0.042455  0.610768  1
  S  S110  1  0.167009  0.166922  0.611093  1
  S  S111  1  0.250397  0.291161  0.611106  1
  S  S112  1  0.333639  0.416266  0.610965  1
  S  S113  1  0.416916  0.541339  0.610861  1
  S  S114  1  0.500000  0.666382  0.611048  1
  S  S115  1  0.582235  0.792081  0.611094  1
  S  S116  1  0.664903  0.917926  0.611080  1
  S  S117  1  0.251385  0.043273  0.611081  1
  S  S118  1  0.333898  0.167324  0.611106  1
  S  S119  1  0.416912  0.291883  0.611041  1
  S  S120  1  0.500000  0.416497  0.611076  1
  S  S121  1  0.583085  0.541339  0.610861  1
  S  S122  1  0.666133  0.666297  0.610645  1
  S  S123  1  0.745994  0.792966  0.611399  1
  S  S124  1  0.829003  0.920263  0.611967  1
  S  S125  1  0.417249  0.042643  0.611145  1
  S  S126  1  0.500000  0.167260  0.611115  1
  S  S127  1  0.583088  0.291883  0.611041  1
  S  S128  1  0.666362  0.416266  0.610965  1
  S  S129  1  0.749421  0.540767  0.610866  1
  S  S130  1  0.832770  0.666548  0.609883  1
  S  S131  1  0.907735  0.797443  0.611218  1
  S  S132  1  0.000001  0.916372  0.608860  1
  S  S133  1  0.582751  0.042642  0.611145  1
  S  S134  1  0.666102  0.167324  0.611106  1
  S  S135  1  0.749603  0.291160  0.611106  1
  S  S136  1  0.832635  0.414833  0.611109  1
  S  S137  1  0.915483  0.537121  0.611357  1
  S  S138  1  0.000002  0.656004  0.611955  1
  S  S139  1  0.748615  0.043273  0.611080  1
  S  S140  1  0.832990  0.166922  0.611093  1
  S  S141  1  0.916530  0.290799  0.611110  1
  S  S142  1  -0.000000  0.414312  0.611144  1
  S  S143  1  0.916526  0.042455  0.610768  1
  S  S144  1  -0.000000  0.166648  0.610885  1
