data_[K6Ce3Hg3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ce  1.1200  1.8500  1.0800
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.8777]
_cell_length_b [7.8777]
_cell_length_c [21.8756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K2CeHgCl6]
_chemical_formula_sum '[K6 Ce3 Hg3 Cl18]'
_cell_volume [1175.6874]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5210  1.0
  K  K1  3  0.0000  0.0000  0.9970  1.0
  Ce  Ce2  3  0.0000  0.0000  0.3292  1.0
  Hg  Hg3  3  0.0000  0.0000  0.8173  1.0
  Cl  Cl4  9  0.0125  0.2885  0.2625  1.0
  Cl  Cl5  9  0.0862  0.7015  0.0699  1.0
]