data_[K12Hg4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hg  2.0000  1.5000  1.2450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [10.5465]
_cell_length_b [16.1606]
_cell_length_c [3.9402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [K3HgO]
_chemical_formula_sum '[K12 Hg4 O4]'
_cell_volume [671.5523]
_cell_formula_units_Z [4]
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  8  0.2208  0.1431  0.5000  1.0
  K  K1  4  0.0000  0.2889  0.0000  1.0
  Hg  Hg2  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  2  0.0000  0.5000  0.5000  1.0
  O  O4  4  0.2500  0.2500  0.0000  1.0
]