data_[K2Tl4Hg2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [P2_1/c]
_cell_length_a [7.1852]
_cell_length_b [7.9198]
_cell_length_c [13.1132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3485]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KTl2HgCl6]
_chemical_formula_sum '[K2 Tl4 Hg2 Cl12]'
_cell_volume [630.4005]
_cell_formula_units_Z [2]
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
[
  K  K0  2  0.5000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.2393  0.0712  0.2628  1.0
  Hg  Hg2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  4  0.0634  0.2085  0.8891  1.0
  Cl  Cl4  4  0.2425  0.6596  0.9534  1.0
  Cl  Cl5  4  0.4000  0.1041  0.7296  1.0
]