# 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  -0.001232  0.749426  0.499047  1
  W  W2  1  0.083333  0.876256  0.499003  1
  W  W3  1  -0.000055  0.500534  0.500340  1
  W  W4  1  0.083333  0.625961  0.499965  1
  W  W5  1  0.167899  0.749426  0.499047  1
  W  W6  1  0.249117  0.874617  0.499944  1
  W  W7  1  0.000042  0.250231  0.500121  1
  W  W8  1  0.083333  0.375344  0.500285  1
  W  W9  1  0.166722  0.500534  0.500340  1
  W  W10  1  0.250150  0.625161  0.499751  1
  W  W11  1  0.333287  0.749873  0.499739  1
  W  W12  1  0.416254  0.874784  0.500320  1
  W  W13  1  0.000177  0.000130  0.499724  1
  W  W14  1  0.083333  0.125176  0.500067  1
  W  W15  1  0.166624  0.250231  0.500121  1
  W  W16  1  0.250014  0.375259  0.500201  1
  W  W17  1  0.333352  0.500128  0.500219  1
  W  W18  1  0.416701  0.624973  0.500099  1
  W  W19  1  0.499897  0.749919  0.500284  1
  W  W20  1  0.583333  0.874856  0.500329  1
  W  W21  1  0.166490  0.000131  0.499724  1
  W  W22  1  0.249851  0.125075  0.500209  1
  W  W23  1  0.333268  0.250049  0.500089  1
  W  W24  1  0.416655  0.375004  0.500080  1
  W  W25  1  0.500028  0.499938  0.500098  1
  W  W26  1  0.583333  0.624896  0.500165  1
  W  W27  1  0.666770  0.749919  0.500284  1
  W  W28  1  0.750412  0.874784  0.500321  1
  W  W29  1  0.332858  -0.000115  0.500303  1
  W  W30  1  0.416444  0.124973  0.500162  1
  W  W31  1  0.500000  0.249920  0.500014  1
  W  W32  1  0.583333  0.374834  0.500022  1
  W  W33  1  0.666639  0.499938  0.500098  1
  W  W34  1  0.749965  0.624973  0.500099  1
  W  W35  1  0.833379  0.749873  0.499739  1
  W  W36  1  0.917549  0.874617  0.499943  1
  W  W37  1  0.499816  -0.000099  0.500269  1
  W  W38  1  0.583333  0.124928  0.500051  1
  W  W39  1  0.666667  0.249919  0.500014  1
  W  W40  1  0.750011  0.375004  0.500080  1
  W  W41  1  0.833315  0.500128  0.500219  1
  W  W42  1  0.916517  0.625161  0.499751  1
  W  W43  1  0.666850  -0.000099  0.500270  1
  W  W44  1  0.750223  0.124973  0.500163  1
  W  W45  1  0.833399  0.250049  0.500089  1
  W  W46  1  0.916653  0.375259  0.500201  1
  W  W47  1  0.833809  -0.000115  0.500304  1
  W  W48  1  0.916816  0.125075  0.500210  1
  S  S49  1  0.166893  0.917166  0.388491  1
  S  S50  1  0.083333  0.542211  0.389735  1
  S  S51  1  0.167061  0.666255  0.388511  1
  S  S52  1  0.250603  0.791587  0.388471  1
  S  S53  1  0.332811  0.916436  0.389677  1
  S  S54  1  0.083333  0.291944  0.389527  1
  S  S55  1  0.166657  0.417085  0.389766  1
  S  S56  1  0.250127  0.541723  0.389432  1
  S  S57  1  0.333575  0.666534  0.389019  1
  S  S58  1  0.416676  0.791541  0.389430  1
  S  S59  1  0.499738  0.916424  0.389901  1
  S  S60  1  0.083333  0.041953  0.389039  1
  S  S61  1  0.166630  0.166792  0.389468  1
  S  S62  1  0.249971  0.291837  0.389480  1
  S  S63  1  0.333367  0.416753  0.389507  1
  S  S64  1  0.416693  0.541606  0.389505  1
  S  S65  1  0.500021  0.666588  0.389568  1
  S  S66  1  0.583333  0.791495  0.389797  1
  S  S67  1  0.666928  0.916424  0.389901  1
  S  S68  1  0.249872  0.041776  0.389404  1
  S  S69  1  0.333145  0.166630  0.389479  1
  S  S70  1  0.416636  0.291568  0.389342  1
  S  S71  1  0.500016  0.416515  0.389387  1
  S  S72  1  0.583333  0.541539  0.389461  1
  S  S73  1  0.666645  0.666588  0.389568  1
  S  S74  1  0.749990  0.791541  0.389430  1
  S  S75  1  0.833855  0.916436  0.389677  1
  S  S76  1  0.416287  0.041453  0.389760  1
  S  S77  1  0.499850  0.166469  0.389418  1
  S  S78  1  0.583333  0.291457  0.389194  1
  S  S79  1  0.666650  0.416515  0.389387  1
  S  S80  1  0.749974  0.541606  0.389505  1
  S  S81  1  0.833091  0.666534  0.389019  1
  S  S82  1  0.916064  0.791587  0.388471  1
  S  S83  1  -0.000227  0.917166  0.388492  1
  S  S84  1  0.583333  0.041441  0.389711  1
  S  S85  1  0.666817  0.166469  0.389418  1
  S  S86  1  0.750031  0.291568  0.389343  1
  S  S87  1  0.833300  0.416753  0.389507  1
  S  S88  1  0.916540  0.541723  0.389432  1
  S  S89  1  -0.000395  0.666255  0.388511  1
  S  S90  1  0.750379  0.041453  0.389760  1
  S  S91  1  0.833522  0.166630  0.389479  1
  S  S92  1  0.916695  0.291837  0.389480  1
  S  S93  1  0.000010  0.417085  0.389766  1
  S  S94  1  0.916794  0.041776  0.389404  1
  S  S95  1  0.000037  0.166791  0.389468  1
  S  S96  1  0.083333  0.791651  0.606976  1
  S  S97  1  0.165700  0.916589  0.610694  1
  S  S98  1  0.083333  0.542495  0.610801  1
  S  S99  1  0.167084  0.667441  0.610736  1
  S  S100  1  0.249453  0.790978  0.610735  1
  S  S101  1  0.332527  0.916281  0.610773  1
  S  S102  1  0.083333  0.291853  0.610796  1
  S  S103  1  0.166701  0.417036  0.610853  1
  S  S104  1  0.250128  0.542075  0.610922  1
  S  S105  1  0.333278  0.666701  0.610813  1
  S  S106  1  0.416280  0.791383  0.610907  1
  S  S107  1  0.499715  0.916446  0.610766  1
  S  S108  1  0.083333  0.041649  0.610749  1
  S  S109  1  0.166565  0.166785  0.610819  1
  S  S110  1  0.249992  0.291777  0.610756  1
  S  S111  1  0.333437  0.416708  0.610844  1
  S  S112  1  0.416744  0.541647  0.610799  1
  S  S113  1  0.499968  0.666519  0.610824  1
  S  S114  1  0.583333  0.791457  0.610877  1
  S  S115  1  0.666952  0.916446  0.610766  1
  S  S116  1  0.249518  0.041583  0.610891  1
  S  S117  1  0.333172  0.166686  0.610858  1
  S  S118  1  0.416690  0.291552  0.610727  1
  S  S119  1  0.500051  0.416481  0.610710  1
  S  S120  1  0.583333  0.541498  0.610739  1
  S  S121  1  0.666698  0.666519  0.610824  1
  S  S122  1  0.750387  0.791383  0.610907  1
  S  S123  1  0.834140  0.916281  0.610774  1
  S  S124  1  0.416303  0.041511  0.610792  1
  S  S125  1  0.499923  0.166539  0.610694  1
  S  S126  1  0.583333  0.291455  0.610773  1
  S  S127  1  0.666616  0.416481  0.610710  1
  S  S128  1  0.749923  0.541647  0.610799  1
  S  S129  1  0.833389  0.666701  0.610813  1
  S  S130  1  0.917213  0.790978  0.610735  1
  S  S131  1  0.000967  0.916589  0.610692  1
  S  S132  1  0.583333  0.041563  0.610678  1
  S  S133  1  0.666744  0.166539  0.610694  1
  S  S134  1  0.749976  0.291552  0.610727  1
  S  S135  1  0.833229  0.416708  0.610844  1
  S  S136  1  0.916538  0.542075  0.610922  1
  S  S137  1  -0.000418  0.667441  0.610736  1
  S  S138  1  0.750363  0.041511  0.610792  1
  S  S139  1  0.833495  0.166686  0.610859  1
  S  S140  1  0.916674  0.291777  0.610756  1
  S  S141  1  -0.000034  0.417035  0.610853  1
  S  S142  1  0.917149  0.041583  0.610892  1
  S  S143  1  0.000102  0.166785  0.610819  1
  Cl  Cl144  1  0.083333  0.791645  0.383364  1
