# 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  0.791669  0.354481  1
  W  W2  1  -0.001799  0.749094  0.494492  1
  W  W3  1  0.083333  0.876841  0.494463  1
  W  W4  1  -0.000079  0.499718  0.500095  1
  W  W5  1  0.083333  0.624530  0.497469  1
  W  W6  1  0.168465  0.749094  0.494492  1
  W  W7  1  0.250427  0.875254  0.497497  1
  W  W8  1  -0.000046  0.250085  0.501060  1
  W  W9  1  0.083333  0.374916  0.500808  1
  W  W10  1  0.166745  0.499718  0.500095  1
  W  W11  1  0.250496  0.624460  0.499398  1
  W  W12  1  0.334068  0.749877  0.499461  1
  W  W13  1  0.416911  0.875103  0.500325  1
  W  W14  1  -0.000272  0.000676  0.499235  1
  W  W15  1  0.083333  0.125291  0.500456  1
  W  W16  1  0.166713  0.250085  0.501060  1
  W  W17  1  0.250078  0.374909  0.501155  1
  W  W18  1  0.333525  0.499743  0.501017  1
  W  W19  1  0.416882  0.624821  0.500930  1
  W  W20  1  0.500202  0.749964  0.501191  1
  W  W21  1  0.583333  0.875066  0.501217  1
  W  W22  1  0.166939  0.000675  0.499235  1
  W  W23  1  0.250153  0.125274  0.500790  1
  W  W24  1  0.333431  0.250059  0.501453  1
  W  W25  1  0.416750  0.374906  0.501612  1
  W  W26  1  0.500064  0.499855  0.501630  1
  W  W27  1  0.583333  0.624892  0.501573  1
  W  W28  1  0.666464  0.749964  0.501191  1
  W  W29  1  0.749755  0.875103  0.500325  1
  W  W30  1  0.333551  0.000227  0.500152  1
  W  W31  1  0.416757  0.125126  0.501212  1
  W  W32  1  0.500036  0.250023  0.501617  1
  W  W33  1  0.583333  0.374920  0.501745  1
  W  W34  1  0.666603  0.499855  0.501630  1
  W  W35  1  0.749785  0.624821  0.500930  1
  W  W36  1  0.832599  0.749877  0.499461  1
  W  W37  1  0.916240  0.875253  0.497497  1
  W  W38  1  0.500065  0.000111  0.501044  1
  W  W39  1  0.583333  0.125089  0.501421  1
  W  W40  1  0.666630  0.250023  0.501617  1
  W  W41  1  0.749916  0.374906  0.501612  1
  W  W42  1  0.833141  0.499743  0.501017  1
  W  W43  1  0.916171  0.624460  0.499398  1
  W  W44  1  0.666602  0.000111  0.501044  1
  W  W45  1  0.749909  0.125126  0.501212  1
  W  W46  1  0.833235  0.250059  0.501453  1
  W  W47  1  0.916588  0.374909  0.501155  1
  W  W48  1  0.833116  0.000226  0.500151  1
  W  W49  1  0.916514  0.125274  0.500790  1
  S  S50  1  0.168276  0.918794  0.386505  1
  S  S51  1  0.083333  0.540444  0.388472  1
  S  S52  1  0.168011  0.664375  0.386563  1
  S  S53  1  0.252946  0.791802  0.386562  1
  S  S54  1  0.334555  0.917273  0.388589  1
  S  S55  1  0.083334  0.291604  0.390215  1
  S  S56  1  0.166856  0.416182  0.389939  1
  S  S57  1  0.250579  0.540778  0.389449  1
  S  S58  1  0.334315  0.666158  0.389181  1
  S  S59  1  0.417769  0.791710  0.389614  1
  S  S60  1  0.500407  0.916863  0.390149  1
  S  S61  1  0.083333  0.042613  0.388887  1
  S  S62  1  0.166839  0.167023  0.390034  1
  S  S63  1  0.250222  0.291633  0.390496  1
  S  S64  1  0.333620  0.416354  0.390526  1
  S  S65  1  0.417043  0.541346  0.390478  1
  S  S66  1  0.500343  0.666517  0.390557  1
  S  S67  1  0.583333  0.791684  0.390528  1
  S  S68  1  0.666259  0.916864  0.390149  1
  S  S69  1  0.250656  0.042501  0.389331  1
  S  S70  1  0.333620  0.166983  0.390403  1
  S  S71  1  0.416813  0.291680  0.390796  1
  S  S72  1  0.500099  0.416534  0.390909  1
  S  S73  1  0.583333  0.541510  0.390911  1
  S  S74  1  0.666324  0.666517  0.390557  1
  S  S75  1  0.748898  0.791710  0.389614  1
  S  S76  1  0.832112  0.917273  0.388589  1
  S  S77  1  0.417093  0.042050  0.390058  1
  S  S78  1  0.500118  0.166854  0.390647  1
  S  S79  1  0.583333  0.291683  0.390878  1
  S  S80  1  0.666567  0.416534  0.390909  1
  S  S81  1  0.749624  0.541346  0.390478  1
  S  S82  1  0.832351  0.666158  0.389181  1
  S  S83  1  0.913720  0.791802  0.386562  1
  S  S84  1  -0.001610  0.918794  0.386505  1
  S  S85  1  0.583334  0.041907  0.390440  1
  S  S86  1  0.666549  0.166854  0.390647  1
  S  S87  1  0.749853  0.291680  0.390796  1
  S  S88  1  0.833046  0.416354  0.390526  1
  S  S89  1  0.916088  0.540778  0.389449  1
  S  S90  1  -0.001344  0.664375  0.386563  1
  S  S91  1  0.749574  0.042049  0.390059  1
  S  S92  1  0.833046  0.166983  0.390403  1
  S  S93  1  0.916445  0.291633  0.390496  1
  S  S94  1  -0.000189  0.416182  0.389939  1
  S  S95  1  0.916010  0.042501  0.389330  1
  S  S96  1  -0.000172  0.167024  0.390034  1
  S  S97  1  0.083333  0.791692  0.600774  1
  S  S98  1  0.166316  0.916277  0.607783  1
  S  S99  1  0.083333  0.542180  0.609953  1
  S  S100  1  0.166337  0.667122  0.607832  1
  S  S101  1  0.249312  0.791678  0.607851  1
  S  S102  1  0.332705  0.916460  0.610067  1
  S  S103  1  0.083334  0.291740  0.611736  1
  S  S104  1  0.166573  0.416797  0.611473  1
  S  S105  1  0.249832  0.541686  0.610995  1
  S  S106  1  0.333084  0.666737  0.610727  1
  S  S107  1  0.416445  0.791756  0.611190  1
  S  S108  1  0.499798  0.916707  0.611702  1
  S  S109  1  0.083333  0.041566  0.610417  1
  S  S110  1  0.166615  0.166644  0.611561  1
  S  S111  1  0.249935  0.291690  0.612033  1
  S  S112  1  0.333249  0.416630  0.612074  1
  S  S113  1  0.416557  0.541649  0.612008  1
  S  S114  1  0.499856  0.666638  0.612065  1
  S  S115  1  0.583333  0.791734  0.612104  1
  S  S116  1  0.666868  0.916707  0.611702  1
  S  S117  1  0.249976  0.041602  0.610901  1
  S  S118  1  0.333315  0.166627  0.611982  1
  S  S119  1  0.416663  0.291625  0.612409  1
  S  S120  1  0.499983  0.416577  0.612489  1
  S  S121  1  0.583333  0.541604  0.612408  1
  S  S122  1  0.666810  0.666638  0.612065  1
  S  S123  1  0.750221  0.791756  0.611190  1
  S  S124  1  0.833962  0.916460  0.610067  1
  S  S125  1  0.416506  0.041590  0.611601  1
  S  S126  1  0.499964  0.166629  0.612218  1
  S  S127  1  0.583333  0.291596  0.612472  1
  S  S128  1  0.666684  0.416577  0.612489  1
  S  S129  1  0.750110  0.541649  0.612008  1
  S  S130  1  0.833583  0.666737  0.610727  1
  S  S131  1  0.917355  0.791678  0.607851  1
  S  S132  1  0.000351  0.916278  0.607783  1
  S  S133  1  0.583333  0.041627  0.611946  1
  S  S134  1  0.666702  0.166629  0.612218  1
  S  S135  1  0.750003  0.291625  0.612409  1
  S  S136  1  0.833418  0.416630  0.612074  1
  S  S137  1  0.916835  0.541686  0.610995  1
  S  S138  1  0.000330  0.667122  0.607832  1
  S  S139  1  0.750162  0.041589  0.611602  1
  S  S140  1  0.833352  0.166627  0.611981  1
  S  S141  1  0.916732  0.291690  0.612033  1
  S  S142  1  0.000094  0.416797  0.611473  1
  S  S143  1  0.916690  0.041602  0.610901  1
  S  S144  1  0.000052  0.166645  0.611561  1
