data_[K1La1Hg2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  La  1.1000  1.9500  1.1720
  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 [6.6984]
_cell_length_b [6.9765]
_cell_length_c [9.0602]
_cell_angle_alpha [81.7005]
_cell_angle_beta [76.5074]
_cell_angle_gamma [87.8133]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KLa(HgCl4)2]
_chemical_formula_sum '[K1 La1 Hg2 Cl8]'
_cell_volume [407.3912]
_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
  La  La1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.4763  0.4832  0.7307  1.0
  Cl  Cl3  2  0.2184  0.8270  0.2053  1.0
  Cl  Cl4  2  0.2503  0.8535  0.7525  1.0
  Cl  Cl5  2  0.2507  0.3482  0.9674  1.0
  Cl  Cl6  2  0.2709  0.3818  0.4881  1.0
]