data_[K6Hg3Pb3Cl18]
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
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.5930]
_cell_length_b [7.5930]
_cell_length_c [19.1381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K2HgPbCl6]
_chemical_formula_sum '[K6 Hg3 Pb3 Cl18]'
_cell_volume [955.5470]
_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  0.0356  1.0
  K  K1  3  0.0000  0.0000  0.5353  1.0
  Hg  Hg2  3  0.0000  0.0000  0.3161  1.0
  Pb  Pb3  3  0.0000  0.0000  0.8159  1.0
  Cl  Cl4  9  0.0003  0.4028  0.5788  1.0
  Cl  Cl5  9  0.0230  0.6089  0.0740  1.0
]