# 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  0.083334  0.791647  0.353960  1
  W  W2  1  -0.001730  0.749140  0.494634  1
  W  W3  1  0.083333  0.876765  0.494513  1
  W  W4  1  -0.000118  0.499762  0.500138  1
  W  W5  1  0.083333  0.624537  0.497604  1
  W  W6  1  0.168397  0.749140  0.494634  1
  W  W7  1  0.250461  0.875253  0.497867  1
  W  W8  1  -0.000034  0.250114  0.501264  1
  W  W9  1  0.083333  0.374964  0.501072  1
  W  W10  1  0.166785  0.499762  0.500138  1
  W  W11  1  0.250532  0.624501  0.499457  1
  W  W12  1  0.334055  0.749837  0.499798  1
  W  W13  1  0.416913  0.875050  0.500591  1
  W  W14  1  -0.000220  0.000676  0.499235  1
  W  W15  1  0.083333  0.125373  0.500632  1
  W  W16  1  0.166700  0.250114  0.501264  1
  W  W17  1  0.250076  0.374958  0.501127  1
  W  W18  1  0.333529  0.499741  0.500898  1
  W  W19  1  0.416971  0.624804  0.501053  1
  W  W20  1  0.500208  0.749957  0.501474  1
  W  W21  1  0.583333  0.875040  0.501398  1
  W  W22  1  0.166887  0.000676  0.499235  1
  W  W23  1  0.250178  0.125281  0.500759  1
  W  W24  1  0.333419  0.250076  0.501168  1
  W  W25  1  0.416772  0.374912  0.501243  1
  W  W26  1  0.500067  0.499883  0.501385  1
  W  W27  1  0.583333  0.624870  0.501609  1
  W  W28  1  0.666459  0.749957  0.501474  1
  W  W29  1  0.749754  0.875050  0.500591  1
  W  W30  1  0.333531  0.000226  0.500185  1
  W  W31  1  0.416748  0.125074  0.500952  1
  W  W32  1  0.500046  0.250000  0.501211  1
  W  W33  1  0.583333  0.374924  0.501356  1
  W  W34  1  0.666600  0.499883  0.501385  1
  W  W35  1  0.749696  0.624804  0.501052  1
  W  W36  1  0.832612  0.749837  0.499797  1
  W  W37  1  0.916206  0.875253  0.497866  1
  W  W38  1  0.500083  0.000064  0.500977  1
  W  W39  1  0.583333  0.125043  0.501040  1
  W  W40  1  0.666620  0.250000  0.501211  1
  W  W41  1  0.749895  0.374912  0.501243  1
  W  W42  1  0.833137  0.499741  0.500898  1
  W  W43  1  0.916135  0.624501  0.499457  1
  W  W44  1  0.666584  0.000064  0.500976  1
  W  W45  1  0.749919  0.125074  0.500952  1
  W  W46  1  0.833247  0.250076  0.501167  1
  W  W47  1  0.916591  0.374958  0.501127  1
  W  W48  1  0.833136  0.000226  0.500185  1
  W  W49  1  0.916489  0.125281  0.500759  1
  S  S50  1  0.168336  0.918732  0.386669  1
  S  S51  1  0.083333  0.540530  0.388546  1
  S  S52  1  0.168027  0.664439  0.386700  1
  S  S53  1  0.252985  0.791804  0.386922  1
  S  S54  1  0.334499  0.917150  0.388844  1
  S  S55  1  0.083333  0.291664  0.390514  1
  S  S56  1  0.166743  0.416205  0.390046  1
  S  S57  1  0.250566  0.540844  0.389414  1
  S  S58  1  0.334372  0.666230  0.389380  1
  S  S59  1  0.417740  0.791659  0.389921  1
  S  S60  1  0.500381  0.916735  0.390262  1
  S  S61  1  0.083333  0.042697  0.388952  1
  S  S62  1  0.166770  0.167096  0.390178  1
  S  S63  1  0.250062  0.291666  0.390475  1
  S  S64  1  0.333530  0.416395  0.390327  1
  S  S65  1  0.417027  0.541437  0.390360  1
  S  S66  1  0.500348  0.666590  0.390663  1
  S  S67  1  0.583333  0.791646  0.390737  1
  S  S68  1  0.666285  0.916735  0.390261  1
  S  S69  1  0.250625  0.042481  0.389310  1
  S  S70  1  0.333552  0.166939  0.390201  1
  S  S71  1  0.416767  0.291678  0.390441  1
  S  S72  1  0.500103  0.416602  0.390571  1
  S  S73  1  0.583333  0.541602  0.390712  1
  S  S74  1  0.666319  0.666590  0.390663  1
  S  S75  1  0.748926  0.791659  0.389921  1
  S  S76  1  0.832168  0.917150  0.388843  1
  S  S77  1  0.417078  0.041916  0.389937  1
  S  S78  1  0.500086  0.166783  0.390306  1
  S  S79  1  0.583333  0.291689  0.390517  1
  S  S80  1  0.666564  0.416602  0.390571  1
  S  S81  1  0.749640  0.541437  0.390360  1
  S  S82  1  0.832295  0.666230  0.389378  1
  S  S83  1  0.913682  0.791804  0.386920  1
  S  S84  1  -0.001669  0.918732  0.386669  1
  S  S85  1  0.583333  0.041748  0.390238  1
  S  S86  1  0.666580  0.166783  0.390306  1
  S  S87  1  0.749899  0.291678  0.390441  1
  S  S88  1  0.833137  0.416395  0.390327  1
  S  S89  1  0.916101  0.540844  0.389414  1
  S  S90  1  -0.001360  0.664439  0.386700  1
  S  S91  1  0.749588  0.041916  0.389937  1
  S  S92  1  0.833115  0.166939  0.390201  1
  S  S93  1  0.916605  0.291666  0.390475  1
  S  S94  1  -0.000076  0.416205  0.390046  1
  S  S95  1  0.916042  0.042481  0.389309  1
  S  S96  1  -0.000103  0.167096  0.390178  1
  S  S97  1  0.083333  0.791709  0.600902  1
  S  S98  1  0.166266  0.916331  0.607884  1
  S  S99  1  0.083333  0.542192  0.610018  1
  S  S100  1  0.166366  0.667109  0.607900  1
  S  S101  1  0.249282  0.791645  0.608138  1
  S  S102  1  0.332732  0.916510  0.610328  1
  S  S103  1  0.083333  0.291769  0.612030  1
  S  S104  1  0.166666  0.416855  0.611599  1
  S  S105  1  0.249891  0.541673  0.611002  1
  S  S106  1  0.333112  0.666647  0.610914  1
  S  S107  1  0.416452  0.791759  0.611532  1
  S  S108  1  0.499822  0.916753  0.611836  1
  S  S109  1  0.083333  0.041558  0.610471  1
  S  S110  1  0.166704  0.166650  0.611709  1
  S  S111  1  0.250082  0.291700  0.611992  1
  S  S112  1  0.333385  0.416617  0.611904  1
  S  S113  1  0.416608  0.541555  0.611928  1
  S  S114  1  0.499930  0.666576  0.612253  1
  S  S115  1  0.583333  0.791723  0.612376  1
  S  S116  1  0.666845  0.916753  0.611836  1
  S  S117  1  0.249975  0.041609  0.610895  1
  S  S118  1  0.333406  0.166684  0.611768  1
  S  S119  1  0.416732  0.291620  0.612002  1
  S  S120  1  0.500014  0.416555  0.612104  1
  S  S121  1  0.583334  0.541497  0.612274  1
  S  S122  1  0.666737  0.666576  0.612252  1
  S  S123  1  0.750215  0.791759  0.611532  1
  S  S124  1  0.833935  0.916509  0.610328  1
  S  S125  1  0.416549  0.041632  0.611497  1
  S  S126  1  0.500025  0.166616  0.611837  1
  S  S127  1  0.583333  0.291580  0.612030  1
  S  S128  1  0.666653  0.416555  0.612104  1
  S  S129  1  0.750058  0.541554  0.611928  1
  S  S130  1  0.833555  0.666646  0.610914  1
  S  S131  1  0.917384  0.791645  0.608138  1
  S  S132  1  0.000400  0.916330  0.607884  1
  S  S133  1  0.583333  0.041697  0.611779  1
  S  S134  1  0.666642  0.166616  0.611837  1
  S  S135  1  0.749935  0.291620  0.612002  1
  S  S136  1  0.833282  0.416617  0.611904  1
  S  S137  1  0.916776  0.541673  0.611002  1
  S  S138  1  0.000301  0.667110  0.607900  1
  S  S139  1  0.750117  0.041632  0.611497  1
  S  S140  1  0.833261  0.166684  0.611768  1
  S  S141  1  0.916585  0.291701  0.611992  1
  S  S142  1  0.000001  0.416855  0.611600  1
  S  S143  1  0.916692  0.041609  0.610895  1
  S  S144  1  -0.000037  0.166649  0.611709  1
