# generated using pymatgen
data_W48S95Cl
_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   W48S95Cl
_chemical_formula_sum   'W48 S95 Cl1'
_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
  W  W1  1  -0.001216  0.749411  0.499448  1
  W  W2  1  0.083333  0.876200  0.499426  1
  W  W3  1  -0.000025  0.500426  0.500302  1
  W  W4  1  0.083333  0.625790  0.500175  1
  W  W5  1  0.167882  0.749411  0.499449  1
  W  W6  1  0.249274  0.874603  0.500154  1
  W  W7  1  0.000058  0.250173  0.500040  1
  W  W8  1  0.083333  0.375325  0.500129  1
  W  W9  1  0.166692  0.500426  0.500302  1
  W  W10  1  0.250235  0.625039  0.499875  1
  W  W11  1  0.333475  0.749841  0.499883  1
  W  W12  1  0.416399  0.874735  0.500296  1
  W  W13  1  0.000113  0.000148  0.499864  1
  W  W14  1  0.083333  0.125151  0.500029  1
  W  W15  1  0.166609  0.250173  0.500040  1
  W  W16  1  0.249934  0.375241  0.500072  1
  W  W17  1  0.333373  0.500137  0.500131  1
  W  W18  1  0.416793  0.624993  0.500042  1
  W  W19  1  0.500006  0.749912  0.500167  1
  W  W20  1  0.583333  0.874807  0.500132  1
  W  W21  1  0.166553  0.000148  0.499864  1
  W  W22  1  0.249868  0.125008  0.500127  1
  W  W23  1  0.333219  0.250032  0.500032  1
  W  W24  1  0.416619  0.375076  0.500031  1
  W  W25  1  0.500034  0.500067  0.500040  1
  W  W26  1  0.583333  0.625012  0.500069  1
  W  W27  1  0.666660  0.749912  0.500167  1
  W  W28  1  0.750268  0.874735  0.500296  1
  W  W29  1  0.332959  -0.000228  0.500286  1
  W  W30  1  0.416486  0.124799  0.500057  1
  W  W31  1  0.499960  0.249903  0.499997  1
  W  W32  1  0.583333  0.375014  0.500009  1
  W  W33  1  0.666633  0.500067  0.500040  1
  W  W34  1  0.749873  0.624993  0.500042  1
  W  W35  1  0.833192  0.749841  0.499884  1
  W  W36  1  0.917393  0.874604  0.500154  1
  W  W37  1  0.499849  -0.000275  0.500116  1
  W  W38  1  0.583333  0.124754  0.500007  1
  W  W39  1  0.666707  0.249903  0.499997  1
  W  W40  1  0.750048  0.375076  0.500031  1
  W  W41  1  0.833294  0.500137  0.500131  1
  W  W42  1  0.916432  0.625039  0.499875  1
  W  W43  1  0.666818  -0.000275  0.500116  1
  W  W44  1  0.750180  0.124799  0.500057  1
  W  W45  1  0.833447  0.250032  0.500032  1
  W  W46  1  0.916733  0.375241  0.500072  1
  W  W47  1  0.833707  -0.000227  0.500286  1
  W  W48  1  0.916799  0.125008  0.500127  1
  S  S49  1  0.166924  0.917160  0.388901  1
  S  S50  1  0.083333  0.542189  0.389664  1
  S  S51  1  0.167075  0.666250  0.388915  1
  S  S52  1  0.250666  0.791574  0.388908  1
  S  S53  1  0.332922  0.916367  0.389651  1
  S  S54  1  0.083333  0.291937  0.389383  1
  S  S55  1  0.166594  0.417119  0.389509  1
  S  S56  1  0.250063  0.541702  0.389369  1
  S  S57  1  0.333642  0.666551  0.389088  1
  S  S58  1  0.416771  0.791585  0.389357  1
  S  S59  1  0.499763  0.916365  0.389513  1
  S  S60  1  0.083333  0.041953  0.389103  1
  S  S61  1  0.166659  0.166784  0.389358  1
  S  S62  1  0.249920  0.291856  0.389407  1
  S  S63  1  0.333287  0.416818  0.389404  1
  S  S64  1  0.416691  0.541702  0.389325  1
  S  S65  1  0.500058  0.666692  0.389289  1
  S  S66  1  0.583333  0.791565  0.389363  1
  S  S67  1  0.666903  0.916365  0.389513  1
  S  S68  1  0.249976  0.041702  0.389386  1
  S  S69  1  0.333212  0.166610  0.389437  1
  S  S70  1  0.416602  0.291672  0.389459  1
  S  S71  1  0.499982  0.416727  0.389405  1
  S  S72  1  0.583333  0.541735  0.389306  1
  S  S73  1  0.666608  0.666692  0.389289  1
  S  S74  1  0.749896  0.791585  0.389357  1
  S  S75  1  0.833744  0.916367  0.389651  1
  S  S76  1  0.416352  0.041314  0.389544  1
  S  S77  1  0.499904  0.166444  0.389477  1
  S  S78  1  0.583333  0.291609  0.389475  1
  S  S79  1  0.666685  0.416727  0.389405  1
  S  S80  1  0.749976  0.541702  0.389325  1
  S  S81  1  0.833025  0.666551  0.389088  1
  S  S82  1  0.916000  0.791574  0.388908  1
  S  S83  1  -0.000257  0.917160  0.388901  1
  S  S84  1  0.583333  0.041331  0.389464  1
  S  S85  1  0.666763  0.166444  0.389477  1
  S  S86  1  0.750065  0.291672  0.389459  1
  S  S87  1  0.833380  0.416818  0.389404  1
  S  S88  1  0.916604  0.541702  0.389369  1
  S  S89  1  -0.000409  0.666250  0.388915  1
  S  S90  1  0.750315  0.041314  0.389544  1
  S  S91  1  0.833455  0.166610  0.389437  1
  S  S92  1  0.916747  0.291856  0.389407  1
  S  S93  1  0.000073  0.417119  0.389509  1
  S  S94  1  0.916691  0.041702  0.389386  1
  S  S95  1  0.000007  0.166784  0.389358  1
  S  S96  1  0.083333  0.791668  0.607362  1
  S  S97  1  0.165829  0.916713  0.610872  1
  S  S98  1  0.083333  0.542329  0.610961  1
  S  S99  1  0.167170  0.667284  0.610895  1
  S  S100  1  0.249665  0.790992  0.610893  1
  S  S101  1  0.332765  0.916291  0.610938  1
  S  S102  1  0.083333  0.291895  0.610702  1
  S  S103  1  0.166630  0.416993  0.610838  1
  S  S104  1  0.250130  0.541940  0.610988  1
  S  S105  1  0.333457  0.666634  0.610896  1
  S  S106  1  0.416557  0.791430  0.611009  1
  S  S107  1  0.499867  0.916422  0.610838  1
  S  S108  1  0.083333  0.041774  0.610847  1
  S  S109  1  0.166612  0.166798  0.610767  1
  S  S110  1  0.249932  0.291834  0.610655  1
  S  S111  1  0.333301  0.416781  0.610739  1
  S  S112  1  0.416732  0.541725  0.610815  1
  S  S113  1  0.500044  0.666639  0.610874  1
  S  S114  1  0.583333  0.791582  0.610896  1
  S  S115  1  0.666800  0.916422  0.610838  1
  S  S116  1  0.249704  0.041622  0.610947  1
  S  S117  1  0.333248  0.166636  0.610696  1
  S  S118  1  0.416616  0.291666  0.610589  1
  S  S119  1  0.499990  0.416717  0.610645  1
  S  S120  1  0.583333  0.541720  0.610751  1
  S  S121  1  0.666623  0.666639  0.610874  1
  S  S122  1  0.750110  0.791430  0.611009  1
  S  S123  1  0.833901  0.916291  0.610938  1
  S  S124  1  0.416457  0.041398  0.610778  1
  S  S125  1  0.499928  0.166468  0.610551  1
  S  S126  1  0.583333  0.291604  0.610548  1
  S  S127  1  0.666677  0.416717  0.610645  1
  S  S128  1  0.749934  0.541725  0.610815  1
  S  S129  1  0.833210  0.666634  0.610896  1
  S  S130  1  0.917002  0.790992  0.610892  1
  S  S131  1  0.000838  0.916713  0.610872  1
  S  S132  1  0.583333  0.041385  0.610634  1
  S  S133  1  0.666739  0.166468  0.610551  1
  S  S134  1  0.750051  0.291666  0.610589  1
  S  S135  1  0.833366  0.416781  0.610739  1
  S  S136  1  0.916537  0.541940  0.610988  1
  S  S137  1  -0.000504  0.667284  0.610895  1
  S  S138  1  0.750210  0.041398  0.610778  1
  S  S139  1  0.833419  0.166636  0.610696  1
  S  S140  1  0.916735  0.291834  0.610655  1
  S  S141  1  0.000037  0.416993  0.610838  1
  S  S142  1  0.916962  0.041622  0.610947  1
  S  S143  1  0.000055  0.166798  0.610767  1
  Cl  Cl144  1  0.083333  0.791659  0.383792  1
