data_[K4Co4Hg4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Co  1.8800  1.3500  0.7683
  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 [8.9571]
_cell_length_b [11.9473]
_cell_length_c [9.3157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0016]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KCoHgCl5]
_chemical_formula_sum '[K4 Co4 Hg4 Cl20]'
_cell_volume [924.2970]
_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  0.3531  0.7500  1
  Co  Co1  4  0.0000  0.3150  0.2500  1
  Hg  Hg2  4  0.0000  0.0000  0.0000  1
  Cl  Cl3  8  0.1216  0.2089  0.1251  1
  Cl  Cl4  8  0.1709  0.4256  0.4345  1
  Cl  Cl5  4  0.0000  0.0875  0.7500  1
]