# generated using pymatgen
data_LiAu(S2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54264500
_cell_length_b   6.72030161
_cell_length_c   8.61726692
_cell_angle_alpha   106.60315498
_cell_angle_beta   91.95161822
_cell_angle_gamma   102.90386500
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAu(S2O7)2
_chemical_formula_sum   'Li1 Au1 S4 O14'
_cell_volume   298.17741185
_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
  Li  Li0  1  0.50000000  0.00000000  0.00000000  1
  Au  Au1  1  0.50000000  0.50000000  0.50000000  1
  S  S2  1  0.93633200  0.73799600  0.76825200  1
  S  S3  1  0.06366800  0.26200400  0.23174800  1
  S  S4  1  0.66012300  0.30682000  0.75658200  1
  S  S5  1  0.33987700  0.69318000  0.24341800  1
  O  O6  1  0.85729300  0.66349000  0.58379400  1
  O  O7  1  0.14270700  0.33651000  0.41620600  1
  O  O8  1  0.45623700  0.40311600  0.70240600  1
  O  O9  1  0.54376300  0.59688400  0.29759400  1
  O  O10  1  0.20014600  0.82812600  0.79029700  1
  O  O11  1  0.79985400  0.17187400  0.20970300  1
  O  O12  1  0.77553300  0.85520200  0.86062500  1
  O  O13  1  0.22446700  0.14479800  0.13937500  1
  O  O14  1  0.59340400  0.26005400  0.90379100  1
  O  O15  1  0.40659600  0.73994600  0.09620900  1
  O  O16  1  0.90939500  0.51610600  0.81778200  1
  O  O17  1  0.09060500  0.48389400  0.18221800  1
  O  O18  1  0.73432900  0.15381400  0.62686300  1
  O  O19  1  0.26567100  0.84618600  0.37313700  1
