data_[Li4Tl4Hg8Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [C2/c]
_cell_length_a [13.0426]
_cell_length_b [14.7746]
_cell_length_c [7.5984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5434]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiTl(HgCl3)2]
_chemical_formula_sum '[Li4 Tl4 Hg8 Cl24]'
_cell_volume [1342.3296]
_cell_formula_units_Z [4]
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
[
  Li  Li0  4  0.0000  0.1871  0.2500  1.0
  Tl  Tl1  4  0.0000  0.0873  0.7500  1.0
  Hg  Hg2  8  0.1462  0.4135  0.5831  1.0
  Cl  Cl3  8  0.1108  0.2550  0.5626  1.0
  Cl  Cl4  8  0.1264  0.0848  0.2011  1.0
  Cl  Cl5  8  0.1288  0.4307  0.0011  1.0
]