# 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  -0.001234  0.749396  0.499495  1
  W  W2  1  0.083333  0.876246  0.499471  1
  W  W3  1  -0.000076  0.500313  0.500285  1
  W  W4  1  0.083333  0.625691  0.500162  1
  W  W5  1  0.167901  0.749396  0.499495  1
  W  W6  1  0.249363  0.874660  0.500151  1
  W  W7  1  0.000010  0.250268  0.500044  1
  W  W8  1  0.083333  0.375319  0.500125  1
  W  W9  1  0.166743  0.500313  0.500285  1
  W  W10  1  0.250343  0.624909  0.499878  1
  W  W11  1  0.333622  0.749785  0.499880  1
  W  W12  1  0.416509  0.874765  0.500285  1
  W  W13  1  0.000052  0.000328  0.499869  1
  W  W14  1  0.083333  0.125342  0.500036  1
  W  W15  1  0.166657  0.250268  0.500044  1
  W  W16  1  0.249993  0.375209  0.500078  1
  W  W17  1  0.333486  0.500012  0.500126  1
  W  W18  1  0.416909  0.624847  0.500048  1
  W  W19  1  0.500074  0.749830  0.500167  1
  W  W20  1  0.583333  0.874835  0.500142  1
  W  W21  1  0.166615  0.000328  0.499869  1
  W  W22  1  0.249934  0.125173  0.500122  1
  W  W23  1  0.333303  0.250102  0.500027  1
  W  W24  1  0.416696  0.375004  0.500029  1
  W  W25  1  0.500075  0.499915  0.500040  1
  W  W26  1  0.583333  0.624876  0.500073  1
  W  W27  1  0.666593  0.749830  0.500167  1
  W  W28  1  0.750158  0.874765  0.500285  1
  W  W29  1  0.333067  -0.000094  0.500279  1
  W  W30  1  0.416569  0.124894  0.500064  1
  W  W31  1  0.499986  0.249913  0.499994  1
  W  W32  1  0.583333  0.374933  0.500008  1
  W  W33  1  0.666592  0.499915  0.500040  1
  W  W34  1  0.749758  0.624847  0.500048  1
  W  W35  1  0.833045  0.749785  0.499880  1
  W  W36  1  0.917304  0.874660  0.500151  1
  W  W37  1  0.499893  -0.000198  0.500121  1
  W  W38  1  0.583333  0.124831  0.500015  1
  W  W39  1  0.666681  0.249913  0.499994  1
  W  W40  1  0.749971  0.375004  0.500029  1
  W  W41  1  0.833181  0.500012  0.500125  1
  W  W42  1  0.916324  0.624909  0.499878  1
  W  W43  1  0.666773  -0.000198  0.500121  1
  W  W44  1  0.750098  0.124894  0.500064  1
  W  W45  1  0.833364  0.250102  0.500027  1
  W  W46  1  0.916674  0.375209  0.500079  1
  W  W47  1  0.833600  -0.000094  0.500279  1
  W  W48  1  0.916732  0.125173  0.500122  1
  S  S49  1  0.166968  0.917295  0.389015  1
  S  S50  1  0.083333  0.542059  0.389654  1
  S  S51  1  0.167161  0.666156  0.389024  1
  S  S52  1  0.250787  0.791554  0.389020  1
  S  S53  1  0.333026  0.916462  0.389661  1
  S  S54  1  0.083333  0.291977  0.389285  1
  S  S55  1  0.166648  0.417019  0.389412  1
  S  S56  1  0.250168  0.541539  0.389353  1
  S  S57  1  0.333799  0.666429  0.389109  1
  S  S58  1  0.416919  0.791580  0.389353  1
  S  S59  1  0.499835  0.916449  0.389440  1
  S  S60  1  0.083333  0.042165  0.389133  1
  S  S61  1  0.166701  0.166934  0.389279  1
  S  S62  1  0.249995  0.291878  0.389275  1
  S  S63  1  0.333379  0.416712  0.389287  1
  S  S64  1  0.416801  0.541551  0.389237  1
  S  S65  1  0.500128  0.666577  0.389229  1
  S  S66  1  0.583333  0.791550  0.389315  1
  S  S67  1  0.666831  0.916449  0.389440  1
  S  S68  1  0.250091  0.041884  0.389374  1
  S  S69  1  0.333313  0.166726  0.389320  1
  S  S70  1  0.416676  0.291664  0.389281  1
  S  S71  1  0.500029  0.416607  0.389247  1
  S  S72  1  0.583333  0.541583  0.389202  1
  S  S73  1  0.666538  0.666577  0.389229  1
  S  S74  1  0.749747  0.791580  0.389353  1
  S  S75  1  0.833640  0.916462  0.389661  1
  S  S76  1  0.416458  0.041448  0.389454  1
  S  S77  1  0.499952  0.166512  0.389312  1
  S  S78  1  0.583333  0.291581  0.389291  1
  S  S79  1  0.666637  0.416607  0.389247  1
  S  S80  1  0.749866  0.541551  0.389237  1
  S  S81  1  0.832868  0.666428  0.389109  1
  S  S82  1  0.915880  0.791554  0.389020  1
  S  S83  1  -0.000302  0.917295  0.389015  1
  S  S84  1  0.583333  0.041426  0.389351  1
  S  S85  1  0.666714  0.166512  0.389312  1
  S  S86  1  0.749990  0.291664  0.389282  1
  S  S87  1  0.833288  0.416712  0.389287  1
  S  S88  1  0.916499  0.541539  0.389353  1
  S  S89  1  -0.000494  0.666156  0.389024  1
  S  S90  1  0.750209  0.041448  0.389454  1
  S  S91  1  0.833353  0.166726  0.389320  1
  S  S92  1  0.916672  0.291878  0.389275  1
  S  S93  1  0.000019  0.417020  0.389412  1
  S  S94  1  0.916576  0.041884  0.389374  1
  S  S95  1  -0.000034  0.166934  0.389279  1
  S  S96  1  0.083333  0.791677  0.607351  1
  S  S97  1  0.165888  0.916872  0.610778  1
  S  S98  1  0.083333  0.542201  0.610926  1
  S  S99  1  0.167271  0.667170  0.610802  1
  S  S100  1  0.249810  0.790962  0.610791  1
  S  S101  1  0.332874  0.916388  0.610898  1
  S  S102  1  0.083333  0.291935  0.610800  1
  S  S103  1  0.166672  0.416909  0.610919  1
  S  S104  1  0.250227  0.541780  0.610986  1
  S  S105  1  0.333625  0.666511  0.610871  1
  S  S106  1  0.416698  0.791426  0.611003  1
  S  S107  1  0.499930  0.916496  0.610906  1
  S  S108  1  0.083333  0.041994  0.610827  1
  S  S109  1  0.166660  0.166950  0.610847  1
  S  S110  1  0.250005  0.291857  0.610782  1
  S  S111  1  0.333395  0.416680  0.610845  1
  S  S112  1  0.416840  0.541563  0.610900  1
  S  S113  1  0.500119  0.666525  0.610936  1
  S  S114  1  0.583333  0.791565  0.610939  1
  S  S115  1  0.666737  0.916496  0.610906  1
  S  S116  1  0.249823  0.041812  0.610953  1
  S  S117  1  0.333339  0.166751  0.610802  1
  S  S118  1  0.416689  0.291659  0.610751  1
  S  S119  1  0.500038  0.416598  0.610799  1
  S  S120  1  0.583333  0.541567  0.610860  1
  S  S121  1  0.666548  0.666525  0.610936  1
  S  S122  1  0.749969  0.791425  0.611003  1
  S  S123  1  0.833793  0.916388  0.610898  1
  S  S124  1  0.416562  0.041524  0.610878  1
  S  S125  1  0.499975  0.166536  0.610719  1
  S  S126  1  0.583333  0.291575  0.610729  1
  S  S127  1  0.666628  0.416598  0.610799  1
  S  S128  1  0.749827  0.541563  0.610900  1
  S  S129  1  0.833042  0.666511  0.610871  1
  S  S130  1  0.916856  0.790962  0.610791  1
  S  S131  1  0.000778  0.916872  0.610778  1
  S  S132  1  0.583333  0.041481  0.610753  1
  S  S133  1  0.666691  0.166536  0.610719  1
  S  S134  1  0.749978  0.291659  0.610751  1
  S  S135  1  0.833272  0.416680  0.610845  1
  S  S136  1  0.916440  0.541780  0.610986  1
  S  S137  1  -0.000604  0.667170  0.610802  1
  S  S138  1  0.750104  0.041524  0.610878  1
  S  S139  1  0.833327  0.166751  0.610803  1
  S  S140  1  0.916662  0.291857  0.610782  1
  S  S141  1  -0.000005  0.416909  0.610919  1
  S  S142  1  0.916844  0.041812  0.610953  1
  S  S143  1  0.000007  0.166950  0.610847  1
  Cl  Cl144  1  0.083333  0.791671  0.383887  1
