data_[H2Au2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.1535]
_cell_length_b [4.7207]
_cell_length_c [5.4929]
_cell_angle_alpha [92.6122]
_cell_angle_beta [90.4440]
_cell_angle_gamma [114.9933]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HAuO2]
_chemical_formula_sum '[H2 Au2 O4]'
_cell_volume [97.4703]
_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
[
  H  H0  2  0.0730  0.0192  0.7514  1.0
  Au  Au1  1  0.0000  0.5000  0.0000  1.0
  Au  Au2  1  0.5000  0.5000  0.5000  1.0
  O  O3  2  0.0469  0.2768  0.2953  1.0
  O  O4  2  0.2416  0.2804  0.7971  1.0
]