# 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  0.791636  0.354377  1
  W  W2  1  -0.001779  0.749105  0.494544  1
  W  W3  1  0.083333  0.876821  0.494428  1
  W  W4  1  -0.000109  0.499709  0.500083  1
  W  W5  1  0.083333  0.624513  0.497452  1
  W  W6  1  0.168446  0.749105  0.494544  1
  W  W7  1  0.250453  0.875258  0.497699  1
  W  W8  1  -0.000041  0.250107  0.501156  1
  W  W9  1  0.083333  0.374912  0.500989  1
  W  W10  1  0.166775  0.499709  0.500083  1
  W  W11  1  0.250517  0.624463  0.499409  1
  W  W12  1  0.334052  0.749876  0.499697  1
  W  W13  1  0.416924  0.875092  0.500471  1
  W  W14  1  -0.000259  0.000682  0.499214  1
  W  W15  1  0.083333  0.125339  0.500555  1
  W  W16  1  0.166708  0.250107  0.501156  1
  W  W17  1  0.250083  0.374911  0.501150  1
  W  W18  1  0.333537  0.499727  0.500969  1
  W  W19  1  0.416936  0.624810  0.500981  1
  W  W20  1  0.500197  0.749963  0.501406  1
  W  W21  1  0.583333  0.875068  0.501389  1
  W  W22  1  0.166926  0.000682  0.499214  1
  W  W23  1  0.250171  0.125287  0.500794  1
  W  W24  1  0.333434  0.250075  0.501262  1
  W  W25  1  0.416777  0.374909  0.501409  1
  W  W26  1  0.500080  0.499857  0.501438  1
  W  W27  1  0.583333  0.624871  0.501570  1
  W  W28  1  0.666469  0.749964  0.501406  1
  W  W29  1  0.749743  0.875092  0.500471  1
  W  W30  1  0.333560  0.000240  0.500154  1
  W  W31  1  0.416776  0.125113  0.501091  1
  W  W32  1  0.500056  0.250006  0.501425  1
  W  W33  1  0.583333  0.374926  0.501526  1
  W  W34  1  0.666586  0.499858  0.501438  1
  W  W35  1  0.749731  0.624810  0.500982  1
  W  W36  1  0.832615  0.749876  0.499698  1
  W  W37  1  0.916214  0.875258  0.497699  1
  W  W38  1  0.500094  0.000108  0.500997  1
  W  W39  1  0.583333  0.125072  0.501164  1
  W  W40  1  0.666611  0.250006  0.501425  1
  W  W41  1  0.749890  0.374909  0.501410  1
  W  W42  1  0.833129  0.499727  0.500969  1
  W  W43  1  0.916149  0.624463  0.499411  1
  W  W44  1  0.666572  0.000108  0.500997  1
  W  W45  1  0.749891  0.125112  0.501092  1
  W  W46  1  0.833233  0.250075  0.501262  1
  W  W47  1  0.916584  0.374911  0.501150  1
  W  W48  1  0.833107  0.000240  0.500154  1
  W  W49  1  0.916495  0.125287  0.500795  1
  S  S50  1  0.168363  0.918760  0.386536  1
  S  S51  1  0.083333  0.540446  0.388428  1
  S  S52  1  0.168034  0.664401  0.386555  1
  S  S53  1  0.252987  0.791828  0.386757  1
  S  S54  1  0.334533  0.917211  0.388703  1
  S  S55  1  0.083333  0.291637  0.390319  1
  S  S56  1  0.166784  0.416147  0.389957  1
  S  S57  1  0.250605  0.540793  0.389372  1
  S  S58  1  0.334342  0.666233  0.389296  1
  S  S59  1  0.417743  0.791664  0.389776  1
  S  S60  1  0.500431  0.916797  0.390169  1
  S  S61  1  0.083333  0.042663  0.388888  1
  S  S62  1  0.166819  0.167070  0.390077  1
  S  S63  1  0.250119  0.291658  0.390393  1
  S  S64  1  0.333570  0.416354  0.390378  1
  S  S65  1  0.417016  0.541374  0.390346  1
  S  S66  1  0.500357  0.666592  0.390576  1
  S  S67  1  0.583333  0.791694  0.390676  1
  S  S68  1  0.666236  0.916798  0.390169  1
  S  S69  1  0.250638  0.042524  0.389257  1
  S  S70  1  0.333604  0.166959  0.390253  1
  S  S71  1  0.416832  0.291676  0.390567  1
  S  S72  1  0.500116  0.416544  0.390653  1
  S  S73  1  0.583333  0.541566  0.390665  1
  S  S74  1  0.666310  0.666592  0.390577  1
  S  S75  1  0.748924  0.791663  0.389776  1
  S  S76  1  0.832134  0.917211  0.388702  1
  S  S77  1  0.417121  0.041999  0.389930  1
  S  S78  1  0.500086  0.166838  0.390408  1
  S  S79  1  0.583333  0.291685  0.390670  1
  S  S80  1  0.666551  0.416545  0.390653  1
  S  S81  1  0.749650  0.541375  0.390347  1
  S  S82  1  0.832325  0.666233  0.389297  1
  S  S83  1  0.913679  0.791827  0.386758  1
  S  S84  1  -0.001696  0.918760  0.386536  1
  S  S85  1  0.583333  0.041836  0.390208  1
  S  S86  1  0.666582  0.166839  0.390408  1
  S  S87  1  0.749835  0.291676  0.390568  1
  S  S88  1  0.833097  0.416355  0.390378  1
  S  S89  1  0.916062  0.540794  0.389374  1
  S  S90  1  -0.001367  0.664401  0.386556  1
  S  S91  1  0.749546  0.041999  0.389930  1
  S  S92  1  0.833063  0.166959  0.390253  1
  S  S93  1  0.916548  0.291658  0.390393  1
  S  S94  1  -0.000117  0.416147  0.389958  1
  S  S95  1  0.916028  0.042524  0.389258  1
  S  S96  1  -0.000153  0.167070  0.390077  1
  S  S97  1  0.083333  0.791714  0.600846  1
  S  S98  1  0.166259  0.916302  0.607831  1
  S  S99  1  0.083333  0.542162  0.609953  1
  S  S100  1  0.166331  0.667103  0.607844  1
  S  S101  1  0.249258  0.791660  0.608079  1
  S  S102  1  0.332732  0.916507  0.610258  1
  S  S103  1  0.083333  0.291715  0.611995  1
  S  S104  1  0.166642  0.416815  0.611615  1
  S  S105  1  0.249854  0.541679  0.611030  1
  S  S106  1  0.333107  0.666671  0.610871  1
  S  S107  1  0.416417  0.791784  0.611461  1
  S  S108  1  0.499798  0.916767  0.611843  1
  S  S109  1  0.083333  0.041569  0.610481  1
  S  S110  1  0.166673  0.166673  0.611705  1
  S  S111  1  0.250025  0.291671  0.612048  1
  S  S112  1  0.333352  0.416589  0.612056  1
  S  S113  1  0.416619  0.541572  0.611983  1
  S  S114  1  0.499928  0.666579  0.612224  1
  S  S115  1  0.583333  0.791731  0.612376  1
  S  S116  1  0.666868  0.916767  0.611842  1
  S  S117  1  0.249970  0.041590  0.610927  1
  S  S118  1  0.333392  0.166699  0.611927  1
  S  S119  1  0.416712  0.291612  0.612213  1
  S  S120  1  0.500012  0.416579  0.612323  1
  S  S121  1  0.583333  0.541507  0.612339  1
  S  S122  1  0.666738  0.666579  0.612225  1
  S  S123  1  0.750249  0.791785  0.611462  1
  S  S124  1  0.833934  0.916507  0.610258  1
  S  S125  1  0.416558  0.041622  0.611598  1
  S  S126  1  0.500045  0.166615  0.612078  1
  S  S127  1  0.583333  0.291607  0.612336  1
  S  S128  1  0.666655  0.416580  0.612324  1
  S  S129  1  0.750048  0.541572  0.611984  1
  S  S130  1  0.833559  0.666672  0.610872  1
  S  S131  1  0.917409  0.791660  0.608080  1
  S  S132  1  0.000407  0.916302  0.607831  1
  S  S133  1  0.583333  0.041719  0.611904  1
  S  S134  1  0.666622  0.166615  0.612079  1
  S  S135  1  0.749955  0.291613  0.612214  1
  S  S136  1  0.833315  0.416590  0.612056  1
  S  S137  1  0.916812  0.541679  0.611031  1
  S  S138  1  0.000336  0.667103  0.607845  1
  S  S139  1  0.750108  0.041622  0.611598  1
  S  S140  1  0.833275  0.166699  0.611927  1
  S  S141  1  0.916642  0.291671  0.612048  1
  S  S142  1  0.000024  0.416815  0.611615  1
  S  S143  1  0.916697  0.041590  0.610927  1
  S  S144  1  -0.000007  0.166673  0.611705  1
