data_[Tl2Zn2Hg1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9814]
_cell_length_b [7.9746]
_cell_length_c [8.1561]
_cell_angle_alpha [79.6493]
_cell_angle_beta [73.6562]
_cell_angle_gamma [76.2428]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl2Zn2HgCl6]
_chemical_formula_sum '[Tl2 Zn2 Hg1 Cl6]'
_cell_volume [420.1220]
_cell_formula_units_Z [1]
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  2  0.4805  0.2249  0.2244  1
  Zn  Zn1  2  0.0019  0.8471  0.1668  1
  Hg  Hg2  1  0.5000  0.5000  0.5000  1
  Cl  Cl3  2  0.1962  0.0698  0.0433  1
  Cl  Cl4  2  0.2140  0.0783  0.5878  1
  Cl  Cl5  2  0.2164  0.5971  0.1134  1
]