# 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  0.749377  0.499599  1
  W  W2  1  0.083333  0.876260  0.499581  1
  W  W3  1  -0.000078  0.500264  0.500262  1
  W  W4  1  0.083333  0.625638  0.500208  1
  W  W5  1  0.167904  0.749377  0.499599  1
  W  W6  1  0.249392  0.874678  0.500193  1
  W  W7  1  -0.000011  0.250302  0.500032  1
  W  W8  1  0.083333  0.375299  0.500080  1
  W  W9  1  0.166745  0.500264  0.500262  1
  W  W10  1  0.250377  0.624847  0.499905  1
  W  W11  1  0.333667  0.749752  0.499911  1
  W  W12  1  0.416528  0.874783  0.500266  1
  W  W13  1  0.000032  0.000401  0.499892  1
  W  W14  1  0.083333  0.125421  0.500018  1
  W  W15  1  0.166677  0.250302  0.500032  1
  W  W16  1  0.250012  0.375191  0.500049  1
  W  W17  1  0.333531  0.499941  0.500102  1
  W  W18  1  0.416955  0.624777  0.500033  1
  W  W19  1  0.500104  0.749791  0.500125  1
  W  W20  1  0.583333  0.874843  0.500078  1
  W  W21  1  0.166635  0.000401  0.499892  1
  W  W22  1  0.249969  0.125247  0.500098  1
  W  W23  1  0.333338  0.250137  0.500033  1
  W  W24  1  0.416729  0.374979  0.500034  1
  W  W25  1  0.500091  0.499848  0.500033  1
  W  W26  1  0.583333  0.624807  0.500045  1
  W  W27  1  0.666563  0.749791  0.500124  1
  W  W28  1  0.750138  0.874783  0.500266  1
  W  W29  1  0.333104  -0.000050  0.500264  1
  W  W30  1  0.416600  0.124950  0.500046  1
  W  W31  1  0.499993  0.249949  0.500016  1
  W  W32  1  0.583333  0.374914  0.500027  1
  W  W33  1  0.666576  0.499848  0.500033  1
  W  W34  1  0.749711  0.624777  0.500033  1
  W  W35  1  0.833000  0.749752  0.499911  1
  W  W36  1  0.917275  0.874678  0.500193  1
  W  W37  1  0.499911  -0.000149  0.500078  1
  W  W38  1  0.583333  0.124895  0.500022  1
  W  W39  1  0.666674  0.249949  0.500016  1
  W  W40  1  0.749937  0.374979  0.500034  1
  W  W41  1  0.833136  0.499941  0.500102  1
  W  W42  1  0.916290  0.624847  0.499905  1
  W  W43  1  0.666756  -0.000149  0.500078  1
  W  W44  1  0.750067  0.124950  0.500046  1
  W  W45  1  0.833329  0.250137  0.500033  1
  W  W46  1  0.916655  0.375191  0.500050  1
  W  W47  1  0.833563  -0.000050  0.500264  1
  W  W48  1  0.916698  0.125247  0.500098  1
  S  S49  1  0.166974  0.917341  0.389131  1
  S  S50  1  0.083333  0.542011  0.389669  1
  S  S51  1  0.167179  0.666120  0.389131  1
  S  S52  1  0.250805  0.791541  0.389127  1
  S  S53  1  0.333054  0.916502  0.389676  1
  S  S54  1  0.083333  0.291971  0.389262  1
  S  S55  1  0.166657  0.416978  0.389378  1
  S  S56  1  0.250210  0.541474  0.389381  1
  S  S57  1  0.333835  0.666379  0.389181  1
  S  S58  1  0.416956  0.791564  0.389389  1
  S  S59  1  0.499842  0.916493  0.389422  1
  S  S60  1  0.083333  0.042237  0.389191  1
  S  S61  1  0.166722  0.166995  0.389255  1
  S  S62  1  0.250024  0.291879  0.389240  1
  S  S63  1  0.333417  0.416653  0.389251  1
  S  S64  1  0.416843  0.541477  0.389216  1
  S  S65  1  0.500158  0.666518  0.389223  1
  S  S66  1  0.583333  0.791546  0.389306  1
  S  S67  1  0.666824  0.916493  0.389422  1
  S  S68  1  0.250123  0.041958  0.389401  1
  S  S69  1  0.333362  0.166784  0.389287  1
  S  S70  1  0.416702  0.291676  0.389224  1
  S  S71  1  0.500049  0.416559  0.389196  1
  S  S72  1  0.583333  0.541510  0.389189  1
  S  S73  1  0.666509  0.666518  0.389223  1
  S  S74  1  0.749711  0.791565  0.389389  1
  S  S75  1  0.833613  0.916502  0.389676  1
  S  S76  1  0.416485  0.041511  0.389419  1
  S  S77  1  0.499974  0.166576  0.389269  1
  S  S78  1  0.583333  0.291593  0.389226  1
  S  S79  1  0.666618  0.416559  0.389196  1
  S  S80  1  0.749824  0.541477  0.389216  1
  S  S81  1  0.832832  0.666379  0.389181  1
  S  S82  1  0.915862  0.791541  0.389127  1
  S  S83  1  -0.000307  0.917341  0.389131  1
  S  S84  1  0.583333  0.041510  0.389327  1
  S  S85  1  0.666693  0.166576  0.389269  1
  S  S86  1  0.749965  0.291675  0.389224  1
  S  S87  1  0.833250  0.416653  0.389251  1
  S  S88  1  0.916456  0.541474  0.389381  1
  S  S89  1  -0.000512  0.666120  0.389130  1
  S  S90  1  0.750181  0.041511  0.389419  1
  S  S91  1  0.833305  0.166784  0.389287  1
  S  S92  1  0.916643  0.291879  0.389240  1
  S  S93  1  0.000009  0.416978  0.389378  1
  S  S94  1  0.916544  0.041958  0.389401  1
  S  S95  1  -0.000055  0.166995  0.389255  1
  S  S96  1  0.083333  0.791679  0.607477  1
  S  S97  1  0.165909  0.916951  0.610800  1
  S  S98  1  0.083333  0.542110  0.610923  1
  S  S99  1  0.167316  0.667107  0.610835  1
  S  S100  1  0.249882  0.790939  0.610818  1
  S  S101  1  0.332935  0.916439  0.610882  1
  S  S102  1  0.083333  0.291941  0.610800  1
  S  S103  1  0.166681  0.416861  0.610886  1
  S  S104  1  0.250255  0.541685  0.610936  1
  S  S105  1  0.333694  0.666448  0.610836  1
  S  S106  1  0.416749  0.791428  0.610941  1
  S  S107  1  0.499952  0.916538  0.610848  1
  S  S108  1  0.083333  0.042095  0.610796  1
  S  S109  1  0.166689  0.167010  0.610835  1
  S  S110  1  0.250032  0.291866  0.610799  1
  S  S111  1  0.333425  0.416621  0.610843  1
  S  S112  1  0.416876  0.541484  0.610885  1
  S  S113  1  0.500153  0.666476  0.610910  1
  S  S114  1  0.583333  0.791562  0.610888  1
  S  S115  1  0.666714  0.916538  0.610848  1
  S  S116  1  0.249872  0.041888  0.610911  1
  S  S117  1  0.333383  0.166807  0.610806  1
  S  S118  1  0.416718  0.291672  0.610795  1
  S  S119  1  0.500057  0.416552  0.610834  1
  S  S120  1  0.583333  0.541498  0.610858  1
  S  S121  1  0.666514  0.666476  0.610910  1
  S  S122  1  0.749918  0.791428  0.610941  1
  S  S123  1  0.833731  0.916439  0.610882  1
  S  S124  1  0.416596  0.041589  0.610842  1
  S  S125  1  0.499989  0.166597  0.610742  1
  S  S126  1  0.583333  0.291588  0.610768  1
  S  S127  1  0.666610  0.416552  0.610834  1
  S  S128  1  0.749791  0.541484  0.610885  1
  S  S129  1  0.832972  0.666448  0.610837  1
  S  S130  1  0.916785  0.790939  0.610818  1
  S  S131  1  0.000758  0.916951  0.610800  1
  S  S132  1  0.583333  0.041549  0.610747  1
  S  S133  1  0.666678  0.166597  0.610742  1
  S  S134  1  0.749949  0.291672  0.610795  1
  S  S135  1  0.833241  0.416620  0.610843  1
  S  S136  1  0.916411  0.541685  0.610936  1
  S  S137  1  -0.000649  0.667107  0.610835  1
  S  S138  1  0.750070  0.041588  0.610842  1
  S  S139  1  0.833283  0.166807  0.610806  1
  S  S140  1  0.916634  0.291866  0.610799  1
  S  S141  1  -0.000015  0.416861  0.610886  1
  S  S142  1  0.916795  0.041888  0.610911  1
  S  S143  1  -0.000022  0.167010  0.610836  1
  Cl  Cl144  1  0.083333  0.791668  0.384006  1
