data_[Li6Au2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [5.0959]
_cell_length_b [5.9833]
_cell_length_c [5.2084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7667]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Li3AuO4]
_chemical_formula_sum '[Li6 Au2 O8]'
_cell_volume [149.4489]
_cell_formula_units_Z [2]
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  2  0.0000  0.3915  0.7500  1
  Li  Li1  2  0.5000  0.1464  0.7500  1
  Li  Li2  2  0.5000  0.4032  0.2500  1
  Au  Au3  2  0.0000  0.1315  0.2500  1
  O  O4  4  0.2371  0.1166  0.0041  1
  O  O5  4  0.2481  0.3640  0.4869  1
]