# 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  -0.001238  0.749401  0.499396  1
  W  W2  1  0.083333  0.876220  0.499369  1
  W  W3  1  -0.000022  0.500427  0.500312  1
  W  W4  1  0.083333  0.625803  0.500180  1
  W  W5  1  0.167904  0.749401  0.499396  1
  W  W6  1  0.249253  0.874596  0.500158  1
  W  W7  1  0.000062  0.250155  0.500044  1
  W  W8  1  0.083333  0.375308  0.500136  1
  W  W9  1  0.166688  0.500427  0.500312  1
  W  W10  1  0.250215  0.625051  0.499874  1
  W  W11  1  0.333449  0.749846  0.499879  1
  W  W12  1  0.416388  0.874741  0.500308  1
  W  W13  1  0.000117  0.000129  0.499860  1
  W  W14  1  0.083333  0.125125  0.500026  1
  W  W15  1  0.166605  0.250155  0.500044  1
  W  W16  1  0.249938  0.375233  0.500075  1
  W  W17  1  0.333357  0.500142  0.500134  1
  W  W18  1  0.416777  0.625009  0.500045  1
  W  W19  1  0.499996  0.749934  0.500178  1
  W  W20  1  0.583333  0.874812  0.500136  1
  W  W21  1  0.166549  0.000130  0.499860  1
  W  W22  1  0.249873  0.124990  0.500129  1
  W  W23  1  0.333216  0.250019  0.500032  1
  W  W24  1  0.416608  0.375079  0.500028  1
  W  W25  1  0.500033  0.500079  0.500046  1
  W  W26  1  0.583333  0.625022  0.500078  1
  W  W27  1  0.666670  0.749934  0.500178  1
  W  W28  1  0.750278  0.874741  0.500308  1
  W  W29  1  0.332949  -0.000236  0.500294  1
  W  W30  1  0.416485  0.124801  0.500058  1
  W  W31  1  0.499968  0.249907  0.499990  1
  W  W32  1  0.583333  0.375016  0.500008  1
  W  W33  1  0.666634  0.500079  0.500046  1
  W  W34  1  0.749890  0.625009  0.500046  1
  W  W35  1  0.833217  0.749846  0.499879  1
  W  W36  1  0.917414  0.874596  0.500158  1
  W  W37  1  0.499848  -0.000263  0.500118  1
  W  W38  1  0.583333  0.124758  0.500005  1
  W  W39  1  0.666699  0.249907  0.499990  1
  W  W40  1  0.750059  0.375079  0.500028  1
  W  W41  1  0.833310  0.500142  0.500134  1
  W  W42  1  0.916451  0.625051  0.499874  1
  W  W43  1  0.666819  -0.000263  0.500119  1
  W  W44  1  0.750182  0.124801  0.500058  1
  W  W45  1  0.833451  0.250019  0.500032  1
  W  W46  1  0.916729  0.375233  0.500075  1
  W  W47  1  0.833717  -0.000236  0.500295  1
  W  W48  1  0.916794  0.124990  0.500129  1
  S  S49  1  0.166930  0.917154  0.388839  1
  S  S50  1  0.083333  0.542188  0.389649  1
  S  S51  1  0.167061  0.666250  0.388855  1
  S  S52  1  0.250657  0.791586  0.388847  1
  S  S53  1  0.332913  0.916364  0.389635  1
  S  S54  1  0.083333  0.291921  0.389355  1
  S  S55  1  0.166592  0.417115  0.389494  1
  S  S56  1  0.250050  0.541718  0.389346  1
  S  S57  1  0.333621  0.666560  0.389053  1
  S  S58  1  0.416746  0.791590  0.389338  1
  S  S59  1  0.499755  0.916368  0.389496  1
  S  S60  1  0.083333  0.041931  0.389065  1
  S  S61  1  0.166660  0.166761  0.389331  1
  S  S62  1  0.249915  0.291845  0.389377  1
  S  S63  1  0.333278  0.416822  0.389374  1
  S  S64  1  0.416676  0.541714  0.389308  1
  S  S65  1  0.500049  0.666709  0.389277  1
  S  S66  1  0.583333  0.791573  0.389345  1
  S  S67  1  0.666911  0.916368  0.389496  1
  S  S68  1  0.249966  0.041681  0.389359  1
  S  S69  1  0.333207  0.166597  0.389405  1
  S  S70  1  0.416599  0.291670  0.389421  1
  S  S71  1  0.499977  0.416733  0.389378  1
  S  S72  1  0.583333  0.541746  0.389283  1
  S  S73  1  0.666618  0.666710  0.389277  1
  S  S74  1  0.749920  0.791590  0.389338  1
  S  S75  1  0.833754  0.916364  0.389635  1
  S  S76  1  0.416342  0.041313  0.389522  1
  S  S77  1  0.499901  0.166450  0.389440  1
  S  S78  1  0.583333  0.291614  0.389424  1
  S  S79  1  0.666689  0.416733  0.389378  1
  S  S80  1  0.749991  0.541714  0.389308  1
  S  S81  1  0.833045  0.666560  0.389053  1
  S  S82  1  0.916010  0.791586  0.388847  1
  S  S83  1  -0.000264  0.917154  0.388839  1
  S  S84  1  0.583333  0.041339  0.389428  1
  S  S85  1  0.666765  0.166450  0.389440  1
  S  S86  1  0.750068  0.291670  0.389421  1
  S  S87  1  0.833388  0.416822  0.389374  1
  S  S88  1  0.916616  0.541718  0.389346  1
  S  S89  1  -0.000394  0.666250  0.388855  1
  S  S90  1  0.750325  0.041313  0.389522  1
  S  S91  1  0.833460  0.166597  0.389405  1
  S  S92  1  0.916752  0.291845  0.389377  1
  S  S93  1  0.000074  0.417115  0.389494  1
  S  S94  1  0.916700  0.041681  0.389359  1
  S  S95  1  0.000006  0.166761  0.389331  1
  S  S96  1  0.083333  0.791669  0.607283  1
  S  S97  1  0.165816  0.916689  0.610904  1
  S  S98  1  0.083333  0.542336  0.611002  1
  S  S99  1  0.167148  0.667303  0.610930  1
  S  S100  1  0.249635  0.790996  0.610927  1
  S  S101  1  0.332746  0.916282  0.610977  1
  S  S102  1  0.083333  0.291874  0.610742  1
  S  S103  1  0.166628  0.416985  0.610871  1
  S  S104  1  0.250117  0.541962  0.611026  1
  S  S105  1  0.333429  0.666648  0.610931  1
  S  S106  1  0.416523  0.791429  0.611046  1
  S  S107  1  0.499861  0.916432  0.610870  1
  S  S108  1  0.083333  0.041747  0.610888  1
  S  S109  1  0.166609  0.166776  0.610796  1
  S  S110  1  0.249930  0.291820  0.610688  1
  S  S111  1  0.333295  0.416784  0.610774  1
  S  S112  1  0.416717  0.541738  0.610844  1
  S  S113  1  0.500031  0.666655  0.610904  1
  S  S114  1  0.583333  0.791595  0.610934  1
  S  S115  1  0.666806  0.916432  0.610870  1
  S  S116  1  0.249684  0.041600  0.610990  1
  S  S117  1  0.333245  0.166625  0.610733  1
  S  S118  1  0.416615  0.291664  0.610613  1
  S  S119  1  0.499986  0.416720  0.610673  1
  S  S120  1  0.583333  0.541731  0.610789  1
  S  S121  1  0.666636  0.666655  0.610905  1
  S  S122  1  0.750143  0.791429  0.611046  1
  S  S123  1  0.833921  0.916282  0.610977  1
  S  S124  1  0.416450  0.041399  0.610811  1
  S  S125  1  0.499928  0.166473  0.610585  1
  S  S126  1  0.583333  0.291609  0.610590  1
  S  S127  1  0.666681  0.416720  0.610673  1
  S  S128  1  0.749949  0.541738  0.610844  1
  S  S129  1  0.833238  0.666648  0.610931  1
  S  S130  1  0.917032  0.790996  0.610927  1
  S  S131  1  0.000850  0.916689  0.610904  1
  S  S132  1  0.583333  0.041395  0.610666  1
  S  S133  1  0.666738  0.166473  0.610585  1
  S  S134  1  0.750052  0.291664  0.610613  1
  S  S135  1  0.833371  0.416784  0.610774  1
  S  S136  1  0.916549  0.541961  0.611026  1
  S  S137  1  -0.000482  0.667303  0.610930  1
  S  S138  1  0.750216  0.041399  0.610811  1
  S  S139  1  0.833422  0.166625  0.610733  1
  S  S140  1  0.916737  0.291820  0.610688  1
  S  S141  1  0.000038  0.416985  0.610871  1
  S  S142  1  0.916982  0.041600  0.610990  1
  S  S143  1  0.000058  0.166776  0.610796  1
  Cl  Cl144  1  0.083333  0.791660  0.383727  1
