data_[Tl4Hg4Cl12]
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 [C2/m]
_cell_length_a [13.8538]
_cell_length_b [9.9779]
_cell_length_c [4.7432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9758]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlHgCl3]
_chemical_formula_sum '[Tl4 Hg4 Cl12]'
_cell_volume [655.2742]
_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
[
  Tl  Tl0  4  0.2359  0.0000  0.7220  1.0
  Hg  Hg1  4  0.0000  0.2965  0.5000  1.0
  Cl  Cl2  8  0.1339  0.2033  0.2405  1.0
  Cl  Cl3  4  0.1042  0.5000  0.7421  1.0
]