data_[K1Fe1Hg2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Fe  1.8300  1.4000  0.8525
  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 [6.4860]
_cell_length_b [7.3024]
_cell_length_c [8.8448]
_cell_angle_alpha [112.0766]
_cell_angle_beta [91.2516]
_cell_angle_gamma [96.1836]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KFe(HgCl4)2]
_chemical_formula_sum '[K1 Fe1 Hg2 Cl8]'
_cell_volume [385.0636]
_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
  Fe  Fe1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.4744  0.2833  0.2830  1.0
  Cl  Cl3  2  0.1316  0.7821  0.7405  1.0
  Cl  Cl4  2  0.1903  0.8697  0.1477  1.0
  Cl  Cl5  2  0.2937  0.2701  0.0338  1.0
  Cl  Cl6  2  0.4414  0.2841  0.5604  1.0
]