data_[Hg2Au2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  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 [4.0381]
_cell_length_b [5.8902]
_cell_length_c [6.1156]
_cell_angle_alpha [66.3876]
_cell_angle_beta [73.8348]
_cell_angle_gamma [89.9625]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HgAuO2]
_chemical_formula_sum '[Hg2 Au2 O4]'
_cell_volume [126.9925]
_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
[
  Hg  Hg0  2  0.2435  0.2637  0.4530  1.0
  Au  Au1  1  0.0000  0.5000  0.0000  1.0
  Au  Au2  1  0.5000  0.0000  0.0000  1.0
  O  O3  2  0.2969  0.7207  0.3483  1.0
  O  O4  2  0.3228  0.8299  0.8132  1.0
]