data_[K6Ca3Hg3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ca  1.0000  1.8000  1.1400
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.5091]
_cell_length_b [7.5091]
_cell_length_c [18.4567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K2CaHgCl6]
_chemical_formula_sum '[K6 Ca3 Hg3 Cl18]'
_cell_volume [901.2829]
_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  0.4583  1.0
  K  K1  3  0.0000  0.0000  0.9550  1.0
  Ca  Ca2  3  0.0000  0.0000  0.1832  1.0
  Hg  Hg3  3  0.0000  0.0000  0.6839  1.0
  Cl  Cl4  9  0.0833  0.3400  0.7594  1.0
  Cl  Cl5  9  0.0854  0.7410  0.2600  1.0
]