data_[K4Hg4Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.9280]
_cell_length_b [4.2215]
_cell_length_c [14.4165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KHgCl3]
_chemical_formula_sum '[K4 Hg4 Cl12]'
_cell_volume [543.3557]
_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  4  0.0668  0.2500  0.1753  1
  Hg  Hg1  4  0.1768  0.7500  0.4499  1
  Cl  Cl2  4  0.0340  0.7500  0.6043  1
  Cl  Cl3  4  0.1543  0.7500  0.0138  1
  Cl  Cl4  4  0.2158  0.2500  0.7895  1
]