data_[Tl4Cu4Hg8Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  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 [12.9968]
_cell_length_b [14.9811]
_cell_length_c [7.3112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5690]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlCu(HgCl3)2]
_chemical_formula_sum '[Tl4 Cu4 Hg8 Cl24]'
_cell_volume [1314.5221]
_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  0.0000  0.0878  0.7500  1.0
  Cu  Cu1  4  0.0000  0.1837  0.2500  1.0
  Hg  Hg2  8  0.1407  0.4132  0.5891  1.0
  Cl  Cl3  8  0.0993  0.2556  0.5469  1.0
  Cl  Cl4  8  0.1289  0.4313  0.0011  1.0
  Cl  Cl5  8  0.1297  0.0876  0.2114  1.0
]