data_[K6Tl3Hg3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.5417]
_cell_length_b [7.5417]
_cell_length_c [18.9790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K2TlHgCl6]
_chemical_formula_sum '[K6 Tl3 Hg3 Cl18]'
_cell_volume [934.8413]
_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  0.4609  1.0
  K  K1  3  0.0000  0.0000  0.9605  1.0
  Tl  Tl2  3  0.0000  0.0000  0.6823  1.0
  Hg  Hg3  3  0.0000  0.0000  0.1819  1.0
  Cl  Cl4  9  0.0841  0.7501  0.2569  1.0
  Cl  Cl5  9  0.0919  0.3483  0.7607  1.0
]