data_[K1Tl1Hg2Cl8]
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 [P-1]
_cell_length_a [6.6974]
_cell_length_b [6.9715]
_cell_length_c [8.7806]
_cell_angle_alpha [82.9379]
_cell_angle_beta [75.4207]
_cell_angle_gamma [89.1854]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KTl(HgCl4)2]
_chemical_formula_sum '[K1 Tl1 Hg2 Cl8]'
_cell_volume [393.7027]
_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
[
  K  K0  1  0.0000  0.0000  0.5000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.4749  0.4999  0.7554  1.0
  Cl  Cl3  2  0.1947  0.8308  0.1857  1.0
  Cl  Cl4  2  0.2489  0.3538  0.9907  1.0
  Cl  Cl5  2  0.2554  0.8751  0.7571  1.0
  Cl  Cl6  2  0.2687  0.3897  0.4739  1.0
]