# generated using pymatgen
data_TeW48S95
_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   TeW48S95
_chemical_formula_sum   'Te1 W48 S95'
_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  0.083333  0.791645  0.353760  1
  W  W2  1  -0.001727  0.749145  0.494590  1
  W  W3  1  0.083333  0.876751  0.494451  1
  W  W4  1  -0.000121  0.499768  0.500136  1
  W  W5  1  0.083333  0.624560  0.497604  1
  W  W6  1  0.168394  0.749144  0.494589  1
  W  W7  1  0.250446  0.875249  0.497865  1
  W  W8  1  -0.000023  0.250110  0.501267  1
  W  W9  1  0.083333  0.374967  0.501087  1
  W  W10  1  0.166788  0.499768  0.500136  1
  W  W11  1  0.250528  0.624523  0.499422  1
  W  W12  1  0.334043  0.749836  0.499768  1
  W  W13  1  0.416916  0.875034  0.500579  1
  W  W14  1  -0.000216  0.000661  0.499170  1
  W  W15  1  0.083333  0.125381  0.500591  1
  W  W16  1  0.166689  0.250110  0.501267  1
  W  W17  1  0.250074  0.374969  0.501142  1
  W  W18  1  0.333520  0.499746  0.500902  1
  W  W19  1  0.416984  0.624802  0.501044  1
  W  W20  1  0.500206  0.749965  0.501480  1
  W  W21  1  0.583333  0.875028  0.501409  1
  W  W22  1  0.166882  0.000661  0.499170  1
  W  W23  1  0.250180  0.125280  0.500745  1
  W  W24  1  0.333406  0.250078  0.501188  1
  W  W25  1  0.416769  0.374915  0.501279  1
  W  W26  1  0.500070  0.499894  0.501408  1
  W  W27  1  0.583333  0.624868  0.501629  1
  W  W28  1  0.666461  0.749965  0.501480  1
  W  W29  1  0.749751  0.875034  0.500580  1
  W  W30  1  0.333520  0.000213  0.500162  1
  W  W31  1  0.416745  0.125061  0.500971  1
  W  W32  1  0.500048  0.250002  0.501265  1
  W  W33  1  0.583333  0.374930  0.501417  1
  W  W34  1  0.666596  0.499894  0.501408  1
  W  W35  1  0.749683  0.624802  0.501044  1
  W  W36  1  0.832624  0.749836  0.499770  1
  W  W37  1  0.916220  0.875249  0.497866  1
  W  W38  1  0.500081  0.000062  0.500985  1
  W  W39  1  0.583333  0.125033  0.501077  1
  W  W40  1  0.666618  0.250002  0.501265  1
  W  W41  1  0.749897  0.374915  0.501279  1
  W  W42  1  0.833147  0.499746  0.500902  1
  W  W43  1  0.916139  0.624523  0.499423  1
  W  W44  1  0.666586  0.000062  0.500985  1
  W  W45  1  0.749922  0.125061  0.500972  1
  W  W46  1  0.833261  0.250078  0.501188  1
  W  W47  1  0.916593  0.374969  0.501142  1
  W  W48  1  0.833147  0.000213  0.500163  1
  W  W49  1  0.916487  0.125280  0.500745  1
  S  S50  1  0.168335  0.918709  0.386630  1
  S  S51  1  0.083333  0.540563  0.388554  1
  S  S52  1  0.168027  0.664449  0.386668  1
  S  S53  1  0.252982  0.791793  0.386899  1
  S  S54  1  0.334485  0.917127  0.388844  1
  S  S55  1  0.083333  0.291674  0.390510  1
  S  S56  1  0.166740  0.416213  0.390065  1
  S  S57  1  0.250561  0.540852  0.389413  1
  S  S58  1  0.334396  0.666225  0.389371  1
  S  S59  1  0.417729  0.791661  0.389927  1
  S  S60  1  0.500375  0.916727  0.390289  1
  S  S61  1  0.083333  0.042717  0.388900  1
  S  S62  1  0.166782  0.167101  0.390169  1
  S  S63  1  0.250062  0.291670  0.390503  1
  S  S64  1  0.333530  0.416397  0.390362  1
  S  S65  1  0.417023  0.541437  0.390376  1
  S  S66  1  0.500355  0.666604  0.390689  1
  S  S67  1  0.583333  0.791634  0.390765  1
  S  S68  1  0.666292  0.916726  0.390290  1
  S  S69  1  0.250630  0.042465  0.389291  1
  S  S70  1  0.333555  0.166946  0.390227  1
  S  S71  1  0.416772  0.291683  0.390503  1
  S  S72  1  0.500104  0.416600  0.390631  1
  S  S73  1  0.583333  0.541595  0.390711  1
  S  S74  1  0.666312  0.666604  0.390690  1
  S  S75  1  0.748938  0.791661  0.389928  1
  S  S76  1  0.832182  0.917128  0.388846  1
  S  S77  1  0.417084  0.041912  0.389963  1
  S  S78  1  0.500083  0.166794  0.390363  1
  S  S79  1  0.583333  0.291692  0.390597  1
  S  S80  1  0.666563  0.416600  0.390631  1
  S  S81  1  0.749643  0.541437  0.390377  1
  S  S82  1  0.832271  0.666225  0.389371  1
  S  S83  1  0.913685  0.791793  0.386901  1
  S  S84  1  -0.001669  0.918709  0.386630  1
  S  S85  1  0.583333  0.041755  0.390254  1
  S  S86  1  0.666584  0.166794  0.390363  1
  S  S87  1  0.749894  0.291683  0.390503  1
  S  S88  1  0.833137  0.416397  0.390362  1
  S  S89  1  0.916106  0.540852  0.389414  1
  S  S90  1  -0.001361  0.664449  0.386668  1
  S  S91  1  0.749584  0.041912  0.389964  1
  S  S92  1  0.833111  0.166946  0.390227  1
  S  S93  1  0.916605  0.291670  0.390503  1
  S  S94  1  -0.000073  0.416213  0.390065  1
  S  S95  1  0.916036  0.042465  0.389292  1
  S  S96  1  -0.000116  0.167101  0.390169  1
  S  S97  1  0.083333  0.791722  0.600807  1
  S  S98  1  0.166258  0.916331  0.607850  1
  S  S99  1  0.083333  0.542200  0.609985  1
  S  S100  1  0.166368  0.667113  0.607888  1
  S  S101  1  0.249280  0.791641  0.608131  1
  S  S102  1  0.332731  0.916512  0.610302  1
  S  S103  1  0.083333  0.291765  0.612031  1
  S  S104  1  0.166663  0.416863  0.611603  1
  S  S105  1  0.249893  0.541691  0.610979  1
  S  S106  1  0.333101  0.666656  0.610874  1
  S  S107  1  0.416450  0.791748  0.611539  1
  S  S108  1  0.499814  0.916746  0.611835  1
  S  S109  1  0.083333  0.041541  0.610387  1
  S  S110  1  0.166688  0.166629  0.611680  1
  S  S111  1  0.250069  0.291700  0.611985  1
  S  S112  1  0.333375  0.416630  0.611909  1
  S  S113  1  0.416598  0.541575  0.611935  1
  S  S114  1  0.499927  0.666576  0.612258  1
  S  S115  1  0.583333  0.791720  0.612394  1
  S  S116  1  0.666852  0.916746  0.611835  1
  S  S117  1  0.249950  0.041594  0.610848  1
  S  S118  1  0.333387  0.166673  0.611753  1
  S  S119  1  0.416716  0.291622  0.612027  1
  S  S120  1  0.500009  0.416572  0.612147  1
  S  S121  1  0.583333  0.541502  0.612288  1
  S  S122  1  0.666739  0.666576  0.612258  1
  S  S123  1  0.750217  0.791749  0.611540  1
  S  S124  1  0.833935  0.916512  0.610302  1
  S  S125  1  0.416541  0.041614  0.611494  1
  S  S126  1  0.500014  0.166601  0.611862  1
  S  S127  1  0.583333  0.291583  0.612078  1
  S  S128  1  0.666658  0.416572  0.612147  1
  S  S129  1  0.750069  0.541575  0.611935  1
  S  S130  1  0.833566  0.666656  0.610875  1
  S  S131  1  0.917387  0.791641  0.608131  1
  S  S132  1  0.000408  0.916331  0.607851  1
  S  S133  1  0.583333  0.041681  0.611783  1
  S  S134  1  0.666652  0.166601  0.611862  1
  S  S135  1  0.749950  0.291622  0.612027  1
  S  S136  1  0.833291  0.416630  0.611909  1
  S  S137  1  0.916774  0.541691  0.610979  1
  S  S138  1  0.000299  0.667113  0.607889  1
  S  S139  1  0.750125  0.041614  0.611494  1
  S  S140  1  0.833279  0.166673  0.611754  1
  S  S141  1  0.916598  0.291700  0.611985  1
  S  S142  1  0.000003  0.416863  0.611603  1
  S  S143  1  0.916717  0.041595  0.610850  1
  S  S144  1  -0.000022  0.166629  0.611681  1
