data_[K4Hg6Cl16]
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 [C2/m]
_cell_length_a [15.5883]
_cell_length_b [9.3992]
_cell_length_c [6.6896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1826]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Hg3Cl8]
_chemical_formula_sum '[K4 Hg6 Cl16]'
_cell_volume [894.1323]
_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
[
  K  K0  4  0.2200  0.5000  0.6299  1.0
  Hg  Hg1  4  0.0000  0.2923  0.0000  1.0
  Hg  Hg2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  8  0.1152  0.2220  0.3650  1.0
  Cl  Cl4  4  0.1013  0.5000  0.9151  1.0
  Cl  Cl5  4  0.1137  0.0000  0.8647  1.0
]