# generated using pymatgen
data_AgW47S96
_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   AgW47S96
_chemical_formula_sum   'Ag1 W47 S96'
_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
  Ag  Ag1  1  0.000004  0.754282  0.500001  1
  W  W2  1  0.088510  0.875224  0.500002  1
  W  W3  1  0.000000  0.497385  0.500006  1
  W  W4  1  0.082402  0.621307  0.500002  1
  W  W5  1  0.169684  0.751827  0.500001  1
  W  W6  1  0.252413  0.876349  0.500003  1
  W  W7  1  -0.000000  0.249260  0.500008  1
  W  W8  1  0.083468  0.373684  0.500010  1
  W  W9  1  0.167503  0.498163  0.500007  1
  W  W10  1  0.249706  0.624818  0.500003  1
  W  W11  1  0.335133  0.749984  0.500002  1
  W  W12  1  0.417306  0.875563  0.500002  1
  W  W13  1  -0.000000  -0.000796  0.500005  1
  W  W14  1  0.083373  0.124622  0.500007  1
  W  W15  1  0.166817  0.249501  0.500009  1
  W  W16  1  0.250342  0.374310  0.500009  1
  W  W17  1  0.333343  0.499879  0.500007  1
  W  W18  1  0.416691  0.624952  0.500003  1
  W  W19  1  0.500000  0.750077  0.500002  1
  W  W20  1  0.582694  0.875563  0.500002  1
  W  W21  1  0.167845  0.001623  0.500006  1
  W  W22  1  0.250525  0.125605  0.500008  1
  W  W23  1  0.333636  0.250159  0.500009  1
  W  W24  1  0.416758  0.375138  0.500008  1
  W  W25  1  0.500000  0.499991  0.500006  1
  W  W26  1  0.583309  0.624951  0.500003  1
  W  W27  1  0.664867  0.749983  0.500002  1
  W  W28  1  0.747587  0.876349  0.500003  1
  W  W29  1  0.334218  0.000814  0.500004  1
  W  W30  1  0.416903  0.125596  0.500006  1
  W  W31  1  0.500000  0.250417  0.500007  1
  W  W32  1  0.583242  0.375138  0.500007  1
  W  W33  1  0.666656  0.499879  0.500006  1
  W  W34  1  0.750294  0.624818  0.500003  1
  W  W35  1  0.830315  0.751826  0.500002  1
  W  W36  1  0.911489  0.875224  0.500002  1
  W  W37  1  0.500000  0.000681  0.500003  1
  W  W38  1  0.583097  0.125596  0.500005  1
  W  W39  1  0.666364  0.250159  0.500008  1
  W  W40  1  0.749658  0.374310  0.500008  1
  W  W41  1  0.832497  0.498163  0.500006  1
  W  W42  1  0.917596  0.621308  0.500002  1
  W  W43  1  0.665782  0.000814  0.500004  1
  W  W44  1  0.749475  0.125605  0.500007  1
  W  W45  1  0.833183  0.249501  0.500008  1
  W  W46  1  0.916532  0.373684  0.500009  1
  W  W47  1  0.832155  0.001622  0.500005  1
  W  W48  1  0.916627  0.124622  0.500007  1
  S  S49  1  0.094560  0.797396  0.383619  1
  S  S50  1  0.169763  0.919206  0.389272  1
  S  S51  1  0.084125  0.538261  0.389163  1
  S  S52  1  0.165623  0.667042  0.390677  1
  S  S53  1  0.253331  0.792479  0.389552  1
  S  S54  1  0.334802  0.917680  0.388772  1
  S  S55  1  0.083400  0.290682  0.389079  1
  S  S56  1  0.167011  0.415203  0.389047  1
  S  S57  1  0.250027  0.541402  0.389192  1
  S  S58  1  0.333254  0.666414  0.389223  1
  S  S59  1  0.417514  0.792059  0.388990  1
  S  S60  1  0.500000  0.917378  0.389029  1
  S  S61  1  0.083120  0.041338  0.389173  1
  S  S62  1  0.166693  0.166401  0.389129  1
  S  S63  1  0.250180  0.291226  0.389112  1
  S  S64  1  0.333410  0.416579  0.389205  1
  S  S65  1  0.416677  0.541620  0.389270  1
  S  S66  1  0.500000  0.666581  0.389208  1
  S  S67  1  0.582487  0.792059  0.388990  1
  S  S68  1  0.665198  0.917680  0.388772  1
  S  S69  1  0.251062  0.042734  0.389021  1
  S  S70  1  0.333716  0.167142  0.389040  1
  S  S71  1  0.416783  0.291979  0.389115  1
  S  S72  1  0.500000  0.416796  0.389145  1
  S  S73  1  0.583323  0.541620  0.389270  1
  S  S74  1  0.666746  0.666414  0.389223  1
  S  S75  1  0.746669  0.792478  0.389552  1
  S  S76  1  0.830237  0.919206  0.389272  1
  S  S77  1  0.417085  0.042458  0.389009  1
  S  S78  1  0.500000  0.167269  0.389089  1
  S  S79  1  0.583218  0.291979  0.389115  1
  S  S80  1  0.666590  0.416579  0.389206  1
  S  S81  1  0.749973  0.541402  0.389192  1
  S  S82  1  0.834376  0.667042  0.390677  1
  S  S83  1  0.905442  0.797395  0.383621  1
  S  S84  1  -0.000000  0.914459  0.391378  1
  S  S85  1  0.582915  0.042458  0.389009  1
  S  S86  1  0.666285  0.167142  0.389040  1
  S  S87  1  0.749820  0.291226  0.389113  1
  S  S88  1  0.832989  0.415203  0.389047  1
  S  S89  1  0.915875  0.538261  0.389163  1
  S  S90  1  -0.000000  0.658330  0.386929  1
  S  S91  1  0.748938  0.042734  0.389021  1
  S  S92  1  0.833307  0.166401  0.389129  1
  S  S93  1  0.916600  0.290682  0.389079  1
  S  S94  1  -0.000000  0.414727  0.388916  1
  S  S95  1  0.916879  0.041338  0.389173  1
  S  S96  1  -0.000000  0.166113  0.389194  1
  S  S97  1  0.094560  0.797396  0.616380  1
  S  S98  1  0.169763  0.919207  0.610724  1
  S  S99  1  0.084126  0.538261  0.610834  1
  S  S100  1  0.165623  0.667042  0.609320  1
  S  S101  1  0.253331  0.792479  0.610446  1
  S  S102  1  0.334802  0.917681  0.611224  1
  S  S103  1  0.083400  0.290682  0.610912  1
  S  S104  1  0.167012  0.415203  0.610946  1
  S  S105  1  0.250027  0.541402  0.610804  1
  S  S106  1  0.333254  0.666414  0.610774  1
  S  S107  1  0.417513  0.792059  0.611008  1
  S  S108  1  0.500000  0.917378  0.610969  1
  S  S109  1  0.083121  0.041339  0.610820  1
  S  S110  1  0.166693  0.166401  0.610861  1
  S  S111  1  0.250180  0.291226  0.610878  1
  S  S112  1  0.333411  0.416579  0.610787  1
  S  S113  1  0.416677  0.541619  0.610725  1
  S  S114  1  0.500000  0.666581  0.610789  1
  S  S115  1  0.582487  0.792059  0.611008  1
  S  S116  1  0.665198  0.917680  0.611224  1
  S  S117  1  0.251062  0.042734  0.610974  1
  S  S118  1  0.333716  0.167141  0.610951  1
  S  S119  1  0.416783  0.291979  0.610875  1
  S  S120  1  0.500000  0.416795  0.610847  1
  S  S121  1  0.583323  0.541619  0.610725  1
  S  S122  1  0.666745  0.666414  0.610774  1
  S  S123  1  0.746669  0.792478  0.610446  1
  S  S124  1  0.830237  0.919207  0.610725  1
  S  S125  1  0.417084  0.042459  0.610986  1
  S  S126  1  0.500000  0.167269  0.610903  1
  S  S127  1  0.583217  0.291979  0.610875  1
  S  S128  1  0.666589  0.416578  0.610787  1
  S  S129  1  0.749973  0.541402  0.610804  1
  S  S130  1  0.834375  0.667041  0.609321  1
  S  S131  1  0.905441  0.797395  0.616378  1
  S  S132  1  -0.000000  0.914460  0.608620  1
  S  S133  1  0.582916  0.042459  0.610986  1
  S  S134  1  0.666284  0.167141  0.610952  1
  S  S135  1  0.749820  0.291226  0.610879  1
  S  S136  1  0.832988  0.415203  0.610947  1
  S  S137  1  0.915874  0.538261  0.610834  1
  S  S138  1  -0.000000  0.658330  0.613070  1
  S  S139  1  0.748938  0.042734  0.610974  1
  S  S140  1  0.833307  0.166401  0.610862  1
  S  S141  1  0.916601  0.290681  0.610914  1
  S  S142  1  0.000000  0.414727  0.611078  1
  S  S143  1  0.916879  0.041339  0.610820  1
  S  S144  1  0.000000  0.166113  0.610796  1
