# 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  -0.001223  0.749405  0.499512  1
  W  W2  1  0.083333  0.876222  0.499485  1
  W  W3  1  -0.000049  0.500356  0.500284  1
  W  W4  1  0.083333  0.625728  0.500196  1
  W  W5  1  0.167890  0.749405  0.499512  1
  W  W6  1  0.249332  0.874637  0.500179  1
  W  W7  1  0.000030  0.250213  0.500035  1
  W  W8  1  0.083333  0.375309  0.500114  1
  W  W9  1  0.166716  0.500356  0.500284  1
  W  W10  1  0.250303  0.624962  0.499883  1
  W  W11  1  0.333568  0.749813  0.499896  1
  W  W12  1  0.416463  0.874754  0.500284  1
  W  W13  1  0.000074  0.000248  0.499880  1
  W  W14  1  0.083333  0.125247  0.500025  1
  W  W15  1  0.166636  0.250213  0.500035  1
  W  W16  1  0.249965  0.375217  0.500065  1
  W  W17  1  0.333440  0.500071  0.500120  1
  W  W18  1  0.416863  0.624918  0.500040  1
  W  W19  1  0.500050  0.749869  0.500154  1
  W  W20  1  0.583333  0.874824  0.500122  1
  W  W21  1  0.166592  0.000248  0.499880  1
  W  W22  1  0.249905  0.125098  0.500113  1
  W  W23  1  0.333267  0.250068  0.500025  1
  W  W24  1  0.416661  0.375042  0.500024  1
  W  W25  1  0.500057  0.499999  0.500035  1
  W  W26  1  0.583333  0.624953  0.500062  1
  W  W27  1  0.666617  0.749869  0.500154  1
  W  W28  1  0.750204  0.874754  0.500284  1
  W  W29  1  0.333025  -0.000157  0.500274  1
  W  W30  1  0.416534  0.124846  0.500052  1
  W  W31  1  0.499971  0.249914  0.499994  1
  W  W32  1  0.583333  0.374985  0.500002  1
  W  W33  1  0.666609  0.499999  0.500035  1
  W  W34  1  0.749804  0.624918  0.500040  1
  W  W35  1  0.833099  0.749813  0.499896  1
  W  W36  1  0.917334  0.874637  0.500179  1
  W  W37  1  0.499875  -0.000235  0.500107  1
  W  W38  1  0.583333  0.124798  0.500010  1
  W  W39  1  0.666695  0.249914  0.499994  1
  W  W40  1  0.750006  0.375042  0.500024  1
  W  W41  1  0.833227  0.500071  0.500120  1
  W  W42  1  0.916363  0.624962  0.499883  1
  W  W43  1  0.666792  -0.000235  0.500107  1
  W  W44  1  0.750133  0.124846  0.500052  1
  W  W45  1  0.833400  0.250068  0.500025  1
  W  W46  1  0.916701  0.375217  0.500065  1
  W  W47  1  0.833641  -0.000157  0.500274  1
  W  W48  1  0.916762  0.125098  0.500113  1
  S  S49  1  0.166957  0.917239  0.388986  1
  S  S50  1  0.083333  0.542126  0.389659  1
  S  S51  1  0.167128  0.666193  0.388997  1
  S  S52  1  0.250743  0.791561  0.388993  1
  S  S53  1  0.332977  0.916412  0.389654  1
  S  S54  1  0.083333  0.291944  0.389324  1
  S  S55  1  0.166619  0.417056  0.389446  1
  S  S56  1  0.250120  0.541604  0.389352  1
  S  S57  1  0.333735  0.666490  0.389104  1
  S  S58  1  0.416863  0.791584  0.389345  1
  S  S59  1  0.499802  0.916410  0.389455  1
  S  S60  1  0.083333  0.042060  0.389124  1
  S  S61  1  0.166680  0.166857  0.389298  1
  S  S62  1  0.249959  0.291859  0.389327  1
  S  S63  1  0.333334  0.416760  0.389330  1
  S  S64  1  0.416753  0.541626  0.389262  1
  S  S65  1  0.500099  0.666634  0.389236  1
  S  S66  1  0.583333  0.791561  0.389315  1
  S  S67  1  0.666865  0.916410  0.389455  1
  S  S68  1  0.250047  0.041801  0.389374  1
  S  S69  1  0.333273  0.166670  0.389360  1
  S  S70  1  0.416639  0.291671  0.389355  1
  S  S71  1  0.500007  0.416677  0.389313  1
  S  S72  1  0.583333  0.541672  0.389243  1
  S  S73  1  0.666567  0.666634  0.389236  1
  S  S74  1  0.749804  0.791584  0.389345  1
  S  S75  1  0.833690  0.916412  0.389654  1
  S  S76  1  0.416414  0.041380  0.389477  1
  S  S77  1  0.499933  0.166482  0.389384  1
  S  S78  1  0.583333  0.291601  0.389368  1
  S  S79  1  0.666660  0.416677  0.389313  1
  S  S80  1  0.749913  0.541626  0.389262  1
  S  S81  1  0.832932  0.666490  0.389104  1
  S  S82  1  0.915924  0.791561  0.388993  1
  S  S83  1  -0.000290  0.917239  0.388986  1
  S  S84  1  0.583333  0.041383  0.389396  1
  S  S85  1  0.666734  0.166482  0.389384  1
  S  S86  1  0.750028  0.291671  0.389355  1
  S  S87  1  0.833333  0.416760  0.389330  1
  S  S88  1  0.916546  0.541604  0.389352  1
  S  S89  1  -0.000461  0.666193  0.388997  1
  S  S90  1  0.750253  0.041380  0.389477  1
  S  S91  1  0.833394  0.166670  0.389360  1
  S  S92  1  0.916708  0.291859  0.389327  1
  S  S93  1  0.000047  0.417056  0.389446  1
  S  S94  1  0.916620  0.041801  0.389374  1
  S  S95  1  -0.000013  0.166857  0.389298  1
  S  S96  1  0.083333  0.791675  0.607409  1
  S  S97  1  0.165859  0.916813  0.610851  1
  S  S98  1  0.083333  0.542246  0.610952  1
  S  S99  1  0.167246  0.667213  0.610870  1
  S  S100  1  0.249764  0.790968  0.610869  1
  S  S101  1  0.332838  0.916351  0.610930  1
  S  S102  1  0.083333  0.291905  0.610752  1
  S  S103  1  0.166651  0.416936  0.610873  1
  S  S104  1  0.250181  0.541840  0.610982  1
  S  S105  1  0.333559  0.666564  0.610885  1
  S  S106  1  0.416653  0.791436  0.611011  1
  S  S107  1  0.499908  0.916464  0.610876  1
  S  S108  1  0.083333  0.041894  0.610844  1
  S  S109  1  0.166641  0.166873  0.610809  1
  S  S110  1  0.249969  0.291840  0.610724  1
  S  S111  1  0.333350  0.416729  0.610791  1
  S  S112  1  0.416792  0.541642  0.610861  1
  S  S113  1  0.500088  0.666584  0.610917  1
  S  S114  1  0.583333  0.791576  0.610921  1
  S  S115  1  0.666758  0.916464  0.610876  1
  S  S116  1  0.249791  0.041733  0.610948  1
  S  S117  1  0.333302  0.166694  0.610747  1
  S  S118  1  0.416654  0.291667  0.610673  1
  S  S119  1  0.500015  0.416667  0.610723  1
  S  S120  1  0.583333  0.541656  0.610818  1
  S  S121  1  0.666579  0.666584  0.610917  1
  S  S122  1  0.750014  0.791436  0.611011  1
  S  S123  1  0.833828  0.916351  0.610930  1
  S  S124  1  0.416522  0.041466  0.610832  1
  S  S125  1  0.499954  0.166506  0.610639  1
  S  S126  1  0.583333  0.291599  0.610642  1
  S  S127  1  0.666652  0.416667  0.610723  1
  S  S128  1  0.749875  0.541642  0.610861  1
  S  S129  1  0.833107  0.666564  0.610885  1
  S  S130  1  0.916903  0.790968  0.610869  1
  S  S131  1  0.000807  0.916813  0.610851  1
  S  S132  1  0.583333  0.041433  0.610699  1
  S  S133  1  0.666713  0.166506  0.610639  1
  S  S134  1  0.750013  0.291667  0.610673  1
  S  S135  1  0.833317  0.416729  0.610791  1
  S  S136  1  0.916486  0.541840  0.610982  1
  S  S137  1  -0.000579  0.667213  0.610870  1
  S  S138  1  0.750145  0.041466  0.610832  1
  S  S139  1  0.833365  0.166694  0.610747  1
  S  S140  1  0.916698  0.291840  0.610724  1
  S  S141  1  0.000015  0.416936  0.610873  1
  S  S142  1  0.916876  0.041733  0.610948  1
  S  S143  1  0.000026  0.166873  0.610809  1
  Cl  Cl144  1  0.083333  0.791666  0.383887  1
