data_[Tl9Hg6Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [R-3m]
_cell_length_a [7.8175]
_cell_length_b [7.8175]
_cell_length_c [24.6824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tl3(HgCl4)2]
_chemical_formula_sum '[Tl9 Hg6 Cl24]'
_cell_volume [1306.3346]
_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
[
  Tl  Tl0  6  0.0000  0.0000  0.1915  1
  Tl  Tl1  3  0.0000  0.0000  0.0000  1
  Hg  Hg2  6  0.0000  0.0000  0.4087  1
  Cl  Cl3  18  0.0253  0.5126  0.7697  1
  Cl  Cl4  6  0.0000  0.0000  0.3060  1
]