data_[K12Au2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8262]
_cell_length_b [5.2907]
_cell_length_c [9.9936]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2019]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K6AuO2]
_chemical_formula_sum '[K12 Au2 O4]'
_cell_volume [638.1305]
_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
[
  K  K0  4  0.0201  0.0000  0.1723  1.0
  K  K1  4  0.1800  0.5000  0.6353  1.0
  K  K2  4  0.2137  0.5000  0.0699  1.0
  Au  Au3  2  0.0000  0.0000  0.5000  1.0
  O  O4  4  0.1698  0.0000  0.0834  1.0
]