# 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  -0.001213  0.749411  0.499479  1
  W  W2  1  0.083333  0.876205  0.499455  1
  W  W3  1  -0.000033  0.500401  0.500296  1
  W  W4  1  0.083333  0.625764  0.500193  1
  W  W5  1  0.167880  0.749411  0.499480  1
  W  W6  1  0.249299  0.874616  0.500171  1
  W  W7  1  0.000048  0.250189  0.500037  1
  W  W8  1  0.083333  0.375322  0.500119  1
  W  W9  1  0.166700  0.500401  0.500296  1
  W  W10  1  0.250266  0.625010  0.499886  1
  W  W11  1  0.333516  0.749829  0.499893  1
  W  W12  1  0.416421  0.874740  0.500288  1
  W  W13  1  0.000099  0.000189  0.499876  1
  W  W14  1  0.083333  0.125192  0.500025  1
  W  W15  1  0.166619  0.250189  0.500037  1
  W  W16  1  0.249943  0.375234  0.500069  1
  W  W17  1  0.333400  0.500113  0.500129  1
  W  W18  1  0.416824  0.624963  0.500040  1
  W  W19  1  0.500026  0.749892  0.500158  1
  W  W20  1  0.583333  0.874814  0.500121  1
  W  W21  1  0.166568  0.000189  0.499876  1
  W  W22  1  0.249881  0.125046  0.500118  1
  W  W23  1  0.333237  0.250049  0.500026  1
  W  W24  1  0.416635  0.375063  0.500024  1
  W  W25  1  0.500042  0.500042  0.500034  1
  W  W26  1  0.583333  0.624991  0.500063  1
  W  W27  1  0.666640  0.749892  0.500158  1
  W  W28  1  0.750246  0.874740  0.500288  1
  W  W29  1  0.332983  -0.000203  0.500282  1
  W  W30  1  0.416504  0.124813  0.500053  1
  W  W31  1  0.499960  0.249905  0.499995  1
  W  W32  1  0.583333  0.375007  0.500006  1
  W  W33  1  0.666625  0.500042  0.500034  1
  W  W34  1  0.749843  0.624963  0.500040  1
  W  W35  1  0.833150  0.749829  0.499893  1
  W  W36  1  0.917368  0.874616  0.500171  1
  W  W37  1  0.499857  -0.000265  0.500111  1
  W  W38  1  0.583333  0.124769  0.500008  1
  W  W39  1  0.666707  0.249905  0.499995  1
  W  W40  1  0.750032  0.375063  0.500023  1
  W  W41  1  0.833267  0.500114  0.500128  1
  W  W42  1  0.916401  0.625010  0.499887  1
  W  W43  1  0.666810  -0.000265  0.500111  1
  W  W44  1  0.750163  0.124813  0.500053  1
  W  W45  1  0.833430  0.250049  0.500026  1
  W  W46  1  0.916724  0.375234  0.500069  1
  W  W47  1  0.833684  -0.000203  0.500282  1
  W  W48  1  0.916786  0.125046  0.500118  1
  S  S49  1  0.166940  0.917195  0.388942  1
  S  S50  1  0.083333  0.542169  0.389669  1
  S  S51  1  0.167099  0.666224  0.388959  1
  S  S52  1  0.250704  0.791567  0.388948  1
  S  S53  1  0.332940  0.916381  0.389654  1
  S  S54  1  0.083333  0.291945  0.389367  1
  S  S55  1  0.166603  0.417099  0.389491  1
  S  S56  1  0.250084  0.541665  0.389372  1
  S  S57  1  0.333683  0.666526  0.389103  1
  S  S58  1  0.416814  0.791584  0.389354  1
  S  S59  1  0.499773  0.916379  0.389491  1
  S  S60  1  0.083333  0.041993  0.389119  1
  S  S61  1  0.166667  0.166815  0.389338  1
  S  S62  1  0.249932  0.291860  0.389384  1
  S  S63  1  0.333303  0.416798  0.389383  1
  S  S64  1  0.416715  0.541672  0.389305  1
  S  S65  1  0.500077  0.666668  0.389266  1
  S  S66  1  0.583333  0.791563  0.389342  1
  S  S67  1  0.666893  0.916379  0.389491  1
  S  S68  1  0.250005  0.041741  0.389386  1
  S  S69  1  0.333237  0.166634  0.389411  1
  S  S70  1  0.416614  0.291672  0.389420  1
  S  S71  1  0.499991  0.416709  0.389374  1
  S  S72  1  0.583333  0.541713  0.389285  1
  S  S73  1  0.666589  0.666668  0.389266  1
  S  S74  1  0.749853  0.791584  0.389354  1
  S  S75  1  0.833727  0.916381  0.389654  1
  S  S76  1  0.416373  0.041332  0.389522  1
  S  S77  1  0.499915  0.166455  0.389450  1
  S  S78  1  0.583333  0.291606  0.389445  1
  S  S79  1  0.666675  0.416709  0.389374  1
  S  S80  1  0.749952  0.541672  0.389305  1
  S  S81  1  0.832984  0.666526  0.389103  1
  S  S82  1  0.915962  0.791567  0.388948  1
  S  S83  1  -0.000274  0.917195  0.388942  1
  S  S84  1  0.583333  0.041345  0.389444  1
  S  S85  1  0.666752  0.166455  0.389450  1
  S  S86  1  0.750053  0.291672  0.389420  1
  S  S87  1  0.833364  0.416798  0.389383  1
  S  S88  1  0.916582  0.541665  0.389372  1
  S  S89  1  -0.000433  0.666224  0.388959  1
  S  S90  1  0.750293  0.041332  0.389522  1
  S  S91  1  0.833429  0.166634  0.389411  1
  S  S92  1  0.916734  0.291860  0.389384  1
  S  S93  1  0.000064  0.417099  0.389491  1
  S  S94  1  0.916662  0.041741  0.389386  1
  S  S95  1  0.000000  0.166815  0.389338  1
  S  S96  1  0.083333  0.791671  0.607395  1
  S  S97  1  0.165838  0.916754  0.610863  1
  S  S98  1  0.083333  0.542296  0.610962  1
  S  S99  1  0.167204  0.667259  0.610887  1
  S  S100  1  0.249705  0.790976  0.610883  1
  S  S101  1  0.332793  0.916313  0.610935  1
  S  S102  1  0.083333  0.291902  0.610714  1
  S  S103  1  0.166637  0.416971  0.610846  1
  S  S104  1  0.250148  0.541899  0.610983  1
  S  S105  1  0.333504  0.666605  0.610889  1
  S  S106  1  0.416600  0.791434  0.611004  1
  S  S107  1  0.499885  0.916434  0.610844  1
  S  S108  1  0.083333  0.041829  0.610843  1
  S  S109  1  0.166625  0.166830  0.610776  1
  S  S110  1  0.249943  0.291838  0.610675  1
  S  S111  1  0.333321  0.416760  0.610750  1
  S  S112  1  0.416758  0.541695  0.610826  1
  S  S113  1  0.500065  0.666616  0.610887  1
  S  S114  1  0.583333  0.791580  0.610898  1
  S  S115  1  0.666782  0.916434  0.610844  1
  S  S116  1  0.249742  0.041669  0.610942  1
  S  S117  1  0.333267  0.166659  0.610703  1
  S  S118  1  0.416628  0.291667  0.610609  1
  S  S119  1  0.499998  0.416700  0.610666  1
  S  S120  1  0.583333  0.541698  0.610766  1
  S  S121  1  0.666601  0.666616  0.610887  1
  S  S122  1  0.750067  0.791434  0.611004  1
  S  S123  1  0.833874  0.916313  0.610935  1
  S  S124  1  0.416482  0.041421  0.610791  1
  S  S125  1  0.499936  0.166479  0.610575  1
  S  S126  1  0.583333  0.291602  0.610570  1
  S  S127  1  0.666669  0.416700  0.610666  1
  S  S128  1  0.749908  0.541695  0.610826  1
  S  S129  1  0.833162  0.666605  0.610889  1
  S  S130  1  0.916962  0.790976  0.610883  1
  S  S131  1  0.000829  0.916754  0.610863  1
  S  S132  1  0.583333  0.041398  0.610650  1
  S  S133  1  0.666731  0.166479  0.610575  1
  S  S134  1  0.750038  0.291667  0.610609  1
  S  S135  1  0.833346  0.416761  0.610750  1
  S  S136  1  0.916519  0.541899  0.610983  1
  S  S137  1  -0.000538  0.667259  0.610887  1
  S  S138  1  0.750185  0.041421  0.610791  1
  S  S139  1  0.833399  0.166659  0.610703  1
  S  S140  1  0.916723  0.291838  0.610675  1
  S  S141  1  0.000030  0.416971  0.610846  1
  S  S142  1  0.916925  0.041669  0.610942  1
  S  S143  1  0.000042  0.166830  0.610776  1
  Cl  Cl144  1  0.083333  0.791663  0.383839  1
