data_[K4Fe4Hg4Cl20]
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 [C2/c]
_cell_length_a [9.0609]
_cell_length_b [12.1098]
_cell_length_c [9.4549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5539]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KFeHgCl5]
_chemical_formula_sum '[K4 Fe4 Hg4 Cl20]'
_cell_volume [964.9042]
_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
[
  K  K0  4  0.0000  0.3437  0.2500  1.0
  Fe  Fe1  4  0.0000  0.3209  0.7500  1.0
  Hg  Hg2  4  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  8  0.1220  0.2150  0.6279  1.0
  Cl  Cl4  8  0.1649  0.4318  0.9308  1.0
  Cl  Cl5  4  0.0000  0.0792  0.2500  1.0
]