# generated using pymatgen
data_GaW48S95
_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   GaW48S95
_chemical_formula_sum   'Ga1 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
  Ga  Ga1  1  0.083333  0.791651  0.378607  1
  W  W2  1  -0.003136  0.748394  0.501171  1
  W  W3  1  0.083333  0.878225  0.501052  1
  W  W4  1  -0.000266  0.499953  0.500069  1
  W  W5  1  0.083333  0.625726  0.500028  1
  W  W6  1  0.169803  0.748394  0.501171  1
  W  W7  1  0.249271  0.874652  0.500011  1
  W  W8  1  -0.000051  0.250311  0.500046  1
  W  W9  1  0.083333  0.375220  0.500027  1
  W  W10  1  0.166933  0.499953  0.500069  1
  W  W11  1  0.250494  0.624464  0.500084  1
  W  W12  1  0.334071  0.749853  0.500123  1
  W  W13  1  0.416893  0.874825  0.500072  1
  W  W14  1  -0.000291  0.000705  0.500075  1
  W  W15  1  0.083333  0.125593  0.500122  1
  W  W16  1  0.166718  0.250311  0.500046  1
  W  W17  1  0.250049  0.375098  0.499996  1
  W  W18  1  0.333612  0.499805  0.500028  1
  W  W19  1  0.417090  0.624669  0.500107  1
  W  W20  1  0.500165  0.749808  0.500021  1
  W  W21  1  0.583333  0.874931  0.499987  1
  W  W22  1  0.166958  0.000705  0.500075  1
  W  W23  1  0.250067  0.125366  0.500043  1
  W  W24  1  0.333406  0.250162  0.499993  1
  W  W25  1  0.416790  0.374901  0.500000  1
  W  W26  1  0.500114  0.499774  0.500051  1
  W  W27  1  0.583333  0.624763  0.500058  1
  W  W28  1  0.666502  0.749808  0.500021  1
  W  W29  1  0.749773  0.874825  0.500072  1
  W  W30  1  0.333323  0.000254  0.500080  1
  W  W31  1  0.416701  0.125026  0.500007  1
  W  W32  1  0.500018  0.249945  0.500005  1
  W  W33  1  0.583333  0.374867  0.500024  1
  W  W34  1  0.666552  0.499774  0.500051  1
  W  W35  1  0.749576  0.624669  0.500107  1
  W  W36  1  0.832596  0.749853  0.500123  1
  W  W37  1  0.917395  0.874652  0.500011  1
  W  W38  1  0.499960  -0.000064  0.500023  1
  W  W39  1  0.583333  0.124967  0.500016  1
  W  W40  1  0.666648  0.249945  0.500005  1
  W  W41  1  0.749876  0.374901  0.500000  1
  W  W42  1  0.833055  0.499805  0.500028  1
  W  W43  1  0.916172  0.624464  0.500084  1
  W  W44  1  0.666707  -0.000064  0.500023  1
  W  W45  1  0.749965  0.125026  0.500007  1
  W  W46  1  0.833260  0.250162  0.499993  1
  W  W47  1  0.916618  0.375098  0.499996  1
  W  W48  1  0.833344  0.000254  0.500080  1
  W  W49  1  0.916600  0.125366  0.500043  1
  S  S50  1  0.167273  0.917507  0.388883  1
  S  S51  1  0.083333  0.541859  0.389731  1
  S  S52  1  0.167149  0.665828  0.388912  1
  S  S53  1  0.251043  0.791696  0.388939  1
  S  S54  1  0.333172  0.916582  0.389747  1
  S  S55  1  0.083333  0.291912  0.389264  1
  S  S56  1  0.166672  0.416748  0.389190  1
  S  S57  1  0.250324  0.541257  0.389205  1
  S  S58  1  0.334016  0.666285  0.389449  1
  S  S59  1  0.417139  0.791614  0.389218  1
  S  S60  1  0.499992  0.916653  0.389208  1
  S  S61  1  0.083333  0.042469  0.389459  1
  S  S62  1  0.166723  0.167074  0.389269  1
  S  S63  1  0.250066  0.291822  0.389200  1
  S  S64  1  0.333494  0.416537  0.389192  1
  S  S65  1  0.416935  0.541403  0.389218  1
  S  S66  1  0.500196  0.666456  0.389228  1
  S  S67  1  0.583333  0.791562  0.389214  1
  S  S68  1  0.666674  0.916653  0.389208  1
  S  S69  1  0.250295  0.042158  0.389237  1
  S  S70  1  0.333452  0.166865  0.389225  1
  S  S71  1  0.416767  0.291644  0.389175  1
  S  S72  1  0.500085  0.416505  0.389182  1
  S  S73  1  0.583333  0.541450  0.389216  1
  S  S74  1  0.666471  0.666456  0.389228  1
  S  S75  1  0.749528  0.791614  0.389218  1
  S  S76  1  0.833494  0.916582  0.389747  1
  S  S77  1  0.416703  0.041667  0.389229  1
  S  S78  1  0.500036  0.166635  0.389222  1
  S  S79  1  0.583333  0.291571  0.389215  1
  S  S80  1  0.666582  0.416505  0.389182  1
  S  S81  1  0.749732  0.541403  0.389218  1
  S  S82  1  0.832650  0.666285  0.389449  1
  S  S83  1  0.915624  0.791696  0.388939  1
  S  S84  1  -0.000606  0.917507  0.388883  1
  S  S85  1  0.583333  0.041615  0.389293  1
  S  S86  1  0.666631  0.166635  0.389222  1
  S  S87  1  0.749900  0.291644  0.389175  1
  S  S88  1  0.833173  0.416538  0.389192  1
  S  S89  1  0.916343  0.541257  0.389205  1
  S  S90  1  -0.000483  0.665828  0.388912  1
  S  S91  1  0.749963  0.041667  0.389229  1
  S  S92  1  0.833215  0.166865  0.389225  1
  S  S93  1  0.916601  0.291822  0.389200  1
  S  S94  1  -0.000006  0.416748  0.389190  1
  S  S95  1  0.916372  0.042158  0.389237  1
  S  S96  1  -0.000056  0.167074  0.389269  1
  S  S97  1  0.083333  0.791707  0.605913  1
  S  S98  1  0.167111  0.917617  0.612104  1
  S  S99  1  0.083333  0.541916  0.610286  1
  S  S100  1  0.167346  0.665858  0.612168  1
  S  S101  1  0.251091  0.791554  0.612148  1
  S  S102  1  0.333093  0.916547  0.610282  1
  S  S103  1  0.083333  0.291928  0.610823  1
  S  S104  1  0.166725  0.416730  0.610866  1
  S  S105  1  0.250352  0.541320  0.610957  1
  S  S106  1  0.333796  0.666381  0.610812  1
  S  S107  1  0.417099  0.791557  0.610988  1
  S  S108  1  0.500059  0.916625  0.610847  1
  S  S109  1  0.083333  0.042216  0.610768  1
  S  S110  1  0.166747  0.167072  0.610914  1
  S  S111  1  0.250089  0.291846  0.610827  1
  S  S112  1  0.333487  0.416527  0.610808  1
  S  S113  1  0.416915  0.541393  0.610941  1
  S  S114  1  0.500200  0.666477  0.610934  1
  S  S115  1  0.583333  0.791599  0.610803  1
  S  S116  1  0.666608  0.916625  0.610847  1
  S  S117  1  0.250200  0.042143  0.610939  1
  S  S118  1  0.333466  0.166873  0.610787  1
  S  S119  1  0.416764  0.291648  0.610835  1
  S  S120  1  0.500074  0.416485  0.610867  1
  S  S121  1  0.583333  0.541437  0.610898  1
  S  S122  1  0.666467  0.666477  0.610934  1
  S  S123  1  0.749568  0.791557  0.610988  1
  S  S124  1  0.833573  0.916547  0.610282  1
  S  S125  1  0.416704  0.041708  0.610845  1
  S  S126  1  0.500024  0.166637  0.610805  1
  S  S127  1  0.583333  0.291561  0.610821  1
  S  S128  1  0.666592  0.416485  0.610867  1
  S  S129  1  0.749752  0.541393  0.610941  1
  S  S130  1  0.832870  0.666381  0.610812  1
  S  S131  1  0.915575  0.791554  0.612149  1
  S  S132  1  -0.000444  0.917617  0.612104  1
  S  S133  1  0.583333  0.041620  0.610752  1
  S  S134  1  0.666643  0.166637  0.610805  1
  S  S135  1  0.749903  0.291648  0.610835  1
  S  S136  1  0.833179  0.416527  0.610808  1
  S  S137  1  0.916315  0.541320  0.610957  1
  S  S138  1  -0.000680  0.665858  0.612168  1
  S  S139  1  0.749963  0.041708  0.610845  1
  S  S140  1  0.833201  0.166873  0.610787  1
  S  S141  1  0.916578  0.291846  0.610827  1
  S  S142  1  -0.000059  0.416730  0.610866  1
  S  S143  1  0.916466  0.042143  0.610939  1
  S  S144  1  -0.000080  0.167072  0.610914  1
