# 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  0.083331  0.791647  0.354092  1
  W  W2  1  -0.001771  0.749113  0.494519  1
  W  W3  1  0.083334  0.876809  0.494435  1
  W  W4  1  -0.000115  0.499737  0.500038  1
  W  W5  1  0.083334  0.624513  0.497549  1
  W  W6  1  0.168436  0.749114  0.494518  1
  W  W7  1  0.250462  0.875252  0.497683  1
  W  W8  1  -0.000042  0.250103  0.501064  1
  W  W9  1  0.083334  0.374929  0.500829  1
  W  W10  1  0.166781  0.499737  0.500037  1
  W  W11  1  0.250524  0.624481  0.499376  1
  W  W12  1  0.334067  0.749851  0.499544  1
  W  W13  1  0.416925  0.875070  0.500295  1
  W  W14  1  -0.000243  0.000682  0.499137  1
  W  W15  1  0.083334  0.125355  0.500380  1
  W  W16  1  0.166709  0.250104  0.501064  1
  W  W17  1  0.250074  0.374935  0.501161  1
  W  W18  1  0.333527  0.499726  0.500984  1
  W  W19  1  0.416951  0.624806  0.500894  1
  W  W20  1  0.500203  0.749967  0.501144  1
  W  W21  1  0.583334  0.875054  0.501126  1
  W  W22  1  0.166909  0.000683  0.499137  1
  W  W23  1  0.250179  0.125283  0.500718  1
  W  W24  1  0.333423  0.250076  0.501461  1
  W  W25  1  0.416774  0.374909  0.501704  1
  W  W26  1  0.500065  0.499869  0.501615  1
  W  W27  1  0.583334  0.624884  0.501482  1
  W  W28  1  0.666464  0.749968  0.501145  1
  W  W29  1  0.749741  0.875069  0.500295  1
  W  W30  1  0.333535  0.000231  0.500080  1
  W  W31  1  0.416751  0.125101  0.501201  1
  W  W32  1  0.500045  0.250014  0.501793  1
  W  W33  1  0.583334  0.374913  0.501930  1
  W  W34  1  0.666602  0.499869  0.501616  1
  W  W35  1  0.749716  0.624806  0.500895  1
  W  W36  1  0.832601  0.749851  0.499543  1
  W  W37  1  0.916205  0.875252  0.497683  1
  W  W38  1  0.500079  0.000087  0.500933  1
  W  W39  1  0.583334  0.125075  0.501441  1
  W  W40  1  0.666621  0.250015  0.501793  1
  W  W41  1  0.749892  0.374909  0.501705  1
  W  W42  1  0.833140  0.499725  0.500985  1
  W  W43  1  0.916142  0.624481  0.499376  1
  W  W44  1  0.666587  0.000088  0.500933  1
  W  W45  1  0.749916  0.125101  0.501202  1
  W  W46  1  0.833244  0.250076  0.501461  1
  W  W47  1  0.916592  0.374936  0.501161  1
  W  W48  1  0.833132  0.000232  0.500080  1
  W  W49  1  0.916487  0.125283  0.500718  1
  S  S50  1  0.168330  0.918746  0.386553  1
  S  S51  1  0.083333  0.540502  0.388424  1
  S  S52  1  0.168009  0.664391  0.386599  1
  S  S53  1  0.252958  0.791816  0.386698  1
  S  S54  1  0.334490  0.917211  0.388597  1
  S  S55  1  0.083333  0.291636  0.390207  1
  S  S56  1  0.166838  0.416175  0.389897  1
  S  S57  1  0.250611  0.540796  0.389362  1
  S  S58  1  0.334344  0.666186  0.389175  1
  S  S59  1  0.417717  0.791676  0.389588  1
  S  S60  1  0.500386  0.916836  0.390026  1
  S  S61  1  0.083333  0.042649  0.388776  1
  S  S62  1  0.166855  0.167071  0.389959  1
  S  S63  1  0.250218  0.291654  0.390472  1
  S  S64  1  0.333657  0.416334  0.390510  1
  S  S65  1  0.417063  0.541328  0.390403  1
  S  S66  1  0.500350  0.666528  0.390435  1
  S  S67  1  0.583334  0.791664  0.390411  1
  S  S68  1  0.666280  0.916836  0.390025  1
  S  S69  1  0.250643  0.042504  0.389216  1
  S  S70  1  0.333643  0.167012  0.390343  1
  S  S71  1  0.416874  0.291679  0.390877  1
  S  S72  1  0.500134  0.416497  0.390973  1
  S  S73  1  0.583334  0.541481  0.390804  1
  S  S74  1  0.666317  0.666527  0.390436  1
  S  S75  1  0.748950  0.791676  0.389588  1
  S  S76  1  0.832177  0.917211  0.388597  1
  S  S77  1  0.417099  0.042045  0.389957  1
  S  S78  1  0.500124  0.166899  0.390706  1
  S  S79  1  0.583334  0.291689  0.391052  1
  S  S80  1  0.666533  0.416497  0.390973  1
  S  S81  1  0.749604  0.541328  0.390404  1
  S  S82  1  0.832323  0.666185  0.389175  1
  S  S83  1  0.913709  0.791816  0.386697  1
  S  S84  1  -0.001663  0.918746  0.386553  1
  S  S85  1  0.583334  0.041925  0.390310  1
  S  S86  1  0.666542  0.166899  0.390706  1
  S  S87  1  0.749793  0.291679  0.390877  1
  S  S88  1  0.833011  0.416334  0.390511  1
  S  S89  1  0.916056  0.540795  0.389362  1
  S  S90  1  -0.001343  0.664391  0.386599  1
  S  S91  1  0.749568  0.042045  0.389957  1
  S  S92  1  0.833024  0.167012  0.390342  1
  S  S93  1  0.916448  0.291654  0.390472  1
  S  S94  1  -0.000172  0.416176  0.389898  1
  S  S95  1  0.916023  0.042504  0.389216  1
  S  S96  1  -0.000188  0.167071  0.389958  1
  S  S97  1  0.083334  0.791705  0.600779  1
  S  S98  1  0.166274  0.916320  0.607817  1
  S  S99  1  0.083334  0.542151  0.609953  1
  S  S100  1  0.166373  0.667111  0.607891  1
  S  S101  1  0.249314  0.791644  0.607999  1
  S  S102  1  0.332778  0.916496  0.610145  1
  S  S103  1  0.083334  0.291745  0.611815  1
  S  S104  1  0.166579  0.416833  0.611504  1
  S  S105  1  0.249833  0.541686  0.611005  1
  S  S106  1  0.333131  0.666699  0.610766  1
  S  S107  1  0.416487  0.791760  0.611259  1
  S  S108  1  0.499819  0.916697  0.611651  1
  S  S109  1  0.083334  0.041601  0.610343  1
  S  S110  1  0.166634  0.166643  0.611544  1
  S  S111  1  0.249922  0.291698  0.612071  1
  S  S112  1  0.333243  0.416654  0.612147  1
  S  S113  1  0.416565  0.541649  0.612008  1
  S  S114  1  0.499897  0.666644  0.612043  1
  S  S115  1  0.583334  0.791738  0.612075  1
  S  S116  1  0.666848  0.916696  0.611651  1
  S  S117  1  0.249963  0.041595  0.610846  1
  S  S118  1  0.333307  0.166623  0.611984  1
  S  S119  1  0.416633  0.291616  0.612530  1
  S  S120  1  0.499972  0.416639  0.612606  1
  S  S121  1  0.583333  0.541633  0.612408  1
  S  S122  1  0.666770  0.666644  0.612043  1
  S  S123  1  0.750180  0.791760  0.611259  1
  S  S124  1  0.833889  0.916496  0.610145  1
  S  S125  1  0.416524  0.041545  0.611554  1
  S  S126  1  0.499961  0.166545  0.612314  1
  S  S127  1  0.583333  0.291594  0.612718  1
  S  S128  1  0.666694  0.416639  0.612606  1
  S  S129  1  0.750102  0.541649  0.612008  1
  S  S130  1  0.833536  0.666699  0.610767  1
  S  S131  1  0.917352  0.791644  0.607999  1
  S  S132  1  0.000393  0.916321  0.607817  1
  S  S133  1  0.583334  0.041587  0.611909  1
  S  S134  1  0.666706  0.166544  0.612315  1
  S  S135  1  0.750033  0.291616  0.612530  1
  S  S136  1  0.833424  0.416654  0.612148  1
  S  S137  1  0.916833  0.541686  0.611005  1
  S  S138  1  0.000294  0.667112  0.607891  1
  S  S139  1  0.750143  0.041545  0.611554  1
  S  S140  1  0.833360  0.166623  0.611984  1
  S  S141  1  0.916745  0.291698  0.612071  1
  S  S142  1  0.000087  0.416833  0.611504  1
  S  S143  1  0.916703  0.041595  0.610846  1
  S  S144  1  0.000033  0.166644  0.611545  1
