# 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  -0.000066  0.749217  0.495097  1
  W  W2  1  0.083333  0.878231  0.505964  1
  W  W3  1  -0.000055  0.499942  0.499671  1
  W  W4  1  0.083333  0.625025  0.497706  1
  W  W5  1  0.166733  0.749217  0.495096  1
  W  W6  1  0.248992  0.875020  0.499821  1
  W  W7  1  -0.000050  0.250155  0.500712  1
  W  W8  1  0.083333  0.375034  0.500431  1
  W  W9  1  0.166722  0.499942  0.499671  1
  W  W10  1  0.250256  0.624644  0.498628  1
  W  W11  1  0.333146  0.749891  0.498379  1
  W  W12  1  0.416536  0.875094  0.499777  1
  W  W13  1  -0.000375  0.000544  0.501386  1
  W  W14  1  0.083334  0.125380  0.500982  1
  W  W15  1  0.166716  0.250155  0.500712  1
  W  W16  1  0.250074  0.375026  0.500595  1
  W  W17  1  0.333465  0.499921  0.500326  1
  W  W18  1  0.416719  0.625017  0.499831  1
  W  W19  1  0.499939  0.750062  0.499955  1
  W  W20  1  0.583333  0.875110  0.500062  1
  W  W21  1  0.167042  0.000545  0.501386  1
  W  W22  1  0.250092  0.125247  0.500787  1
  W  W23  1  0.333405  0.250140  0.500811  1
  W  W24  1  0.416743  0.375051  0.500942  1
  W  W25  1  0.500036  0.500055  0.500769  1
  W  W26  1  0.583333  0.625082  0.500385  1
  W  W27  1  0.666728  0.750062  0.499956  1
  W  W28  1  0.750131  0.875094  0.499777  1
  W  W29  1  0.333221  0.000163  0.500572  1
  W  W30  1  0.416695  0.125082  0.500736  1
  W  W31  1  0.500020  0.250067  0.500952  1
  W  W32  1  0.583333  0.375057  0.501107  1
  W  W33  1  0.666630  0.500055  0.500770  1
  W  W34  1  0.749948  0.625017  0.499832  1
  W  W35  1  0.833521  0.749891  0.498380  1
  W  W36  1  0.917675  0.875020  0.499821  1
  W  W37  1  0.499962  0.000073  0.500367  1
  W  W38  1  0.583334  0.125088  0.500687  1
  W  W39  1  0.666647  0.250068  0.500952  1
  W  W40  1  0.749924  0.375051  0.500941  1
  W  W41  1  0.833201  0.499921  0.500326  1
  W  W42  1  0.916411  0.624645  0.498629  1
  W  W43  1  0.666705  0.000073  0.500367  1
  W  W44  1  0.749972  0.125083  0.500736  1
  W  W45  1  0.833262  0.250140  0.500811  1
  W  W46  1  0.916592  0.375026  0.500594  1
  W  W47  1  0.833446  0.000163  0.500572  1
  W  W48  1  0.916575  0.125247  0.500787  1
  S  S49  1  0.165294  0.916843  0.390637  1
  S  S50  1  0.083333  0.540976  0.388294  1
  S  S51  1  0.167604  0.664925  0.386542  1
  S  S52  1  0.250733  0.792286  0.387157  1
  S  S53  1  0.332807  0.916888  0.389631  1
  S  S54  1  0.083333  0.291648  0.389853  1
  S  S55  1  0.166773  0.416347  0.389514  1
  S  S56  1  0.250414  0.540894  0.388790  1
  S  S57  1  0.333881  0.666330  0.388110  1
  S  S58  1  0.417020  0.791893  0.388773  1
  S  S59  1  0.500006  0.916904  0.389307  1
  S  S60  1  0.083334  0.041992  0.390729  1
  S  S61  1  0.166676  0.166830  0.390047  1
  S  S62  1  0.250103  0.291681  0.389920  1
  S  S63  1  0.333566  0.416473  0.389885  1
  S  S64  1  0.416919  0.541448  0.389600  1
  S  S65  1  0.500198  0.666679  0.389356  1
  S  S66  1  0.583333  0.791780  0.389359  1
  S  S67  1  0.666661  0.916904  0.389307  1
  S  S68  1  0.249962  0.041944  0.389916  1
  S  S69  1  0.333419  0.166853  0.390035  1
  S  S70  1  0.416782  0.291763  0.390149  1
  S  S71  1  0.500104  0.416640  0.390239  1
  S  S72  1  0.583333  0.541603  0.389949  1
  S  S73  1  0.666469  0.666679  0.389356  1
  S  S74  1  0.749647  0.791893  0.388773  1
  S  S75  1  0.833859  0.916888  0.389631  1
  S  S76  1  0.416563  0.041826  0.389825  1
  S  S77  1  0.499990  0.166817  0.390044  1
  S  S78  1  0.583333  0.291761  0.390277  1
  S  S79  1  0.666562  0.416640  0.390239  1
  S  S80  1  0.749748  0.541448  0.389600  1
  S  S81  1  0.832785  0.666330  0.388110  1
  S  S82  1  0.915935  0.792286  0.387158  1
  S  S83  1  0.001373  0.916843  0.390637  1
  S  S84  1  0.583333  0.041859  0.389752  1
  S  S85  1  0.666677  0.166817  0.390044  1
  S  S86  1  0.749885  0.291763  0.390148  1
  S  S87  1  0.833099  0.416473  0.389885  1
  S  S88  1  0.916252  0.540895  0.388789  1
  S  S89  1  -0.000937  0.664926  0.386542  1
  S  S90  1  0.750104  0.041826  0.389825  1
  S  S91  1  0.833248  0.166853  0.390035  1
  S  S92  1  0.916564  0.291681  0.389920  1
  S  S93  1  -0.000106  0.416347  0.389514  1
  S  S94  1  0.916705  0.041943  0.389916  1
  S  S95  1  -0.000009  0.166830  0.390047  1
  S  S96  1  0.083333  0.791159  0.604887  1
  S  S97  1  0.167766  0.917828  0.613568  1
  S  S98  1  0.083333  0.542266  0.609759  1
  S  S99  1  0.166644  0.667557  0.607993  1
  S  S100  1  0.248545  0.790551  0.608281  1
  S  S101  1  0.332920  0.916251  0.610491  1
  S  S102  1  0.083333  0.291841  0.611368  1
  S  S103  1  0.166623  0.416929  0.611006  1
  S  S104  1  0.249858  0.541913  0.610419  1
  S  S105  1  0.332964  0.666892  0.609746  1
  S  S106  1  0.415980  0.791557  0.610074  1
  S  S107  1  0.499853  0.916580  0.610794  1
  S  S108  1  0.083333  0.042190  0.611839  1
  S  S109  1  0.166760  0.166943  0.611606  1
  S  S110  1  0.250003  0.291808  0.611490  1
  S  S111  1  0.333286  0.416806  0.611442  1
  S  S112  1  0.416558  0.541937  0.611108  1
  S  S113  1  0.499830  0.666840  0.610840  1
  S  S114  1  0.583333  0.791724  0.610731  1
  S  S115  1  0.666814  0.916580  0.610795  1
  S  S116  1  0.250405  0.042130  0.611809  1
  S  S117  1  0.333444  0.166821  0.611532  1
  S  S118  1  0.416677  0.291738  0.611704  1
  S  S119  1  0.499983  0.416826  0.611752  1
  S  S120  1  0.583333  0.541883  0.611437  1
  S  S121  1  0.666836  0.666840  0.610840  1
  S  S122  1  0.750687  0.791556  0.610074  1
  S  S123  1  0.833746  0.916252  0.610491  1
  S  S124  1  0.416684  0.041590  0.611309  1
  S  S125  1  0.500021  0.166644  0.611552  1
  S  S126  1  0.583333  0.291673  0.611801  1
  S  S127  1  0.666684  0.416826  0.611751  1
  S  S128  1  0.750107  0.541937  0.611107  1
  S  S129  1  0.833702  0.666893  0.609746  1
  S  S130  1  0.918122  0.790551  0.608281  1
  S  S131  1  -0.001099  0.917828  0.613569  1
  S  S132  1  0.583333  0.041612  0.611189  1
  S  S133  1  0.666646  0.166644  0.611552  1
  S  S134  1  0.749989  0.291739  0.611703  1
  S  S135  1  0.833380  0.416807  0.611441  1
  S  S136  1  0.916809  0.541913  0.610419  1
  S  S137  1  0.000023  0.667557  0.607993  1
  S  S138  1  0.749983  0.041590  0.611309  1
  S  S139  1  0.833223  0.166821  0.611532  1
  S  S140  1  0.916663  0.291809  0.611489  1
  S  S141  1  0.000043  0.416929  0.611005  1
  S  S142  1  0.916262  0.042130  0.611809  1
  S  S143  1  -0.000092  0.166944  0.611605  1
  Cl  Cl144  1  0.083333  0.782411  0.369243  1
