data_[K2Ni2Hg2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ni  1.9100  1.3500  0.7400
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.9755]
_cell_length_b [10.9793]
_cell_length_c [6.8221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6795]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KNiHgCl6]
_chemical_formula_sum '[K2 Ni2 Hg2 Cl12]'
_cell_volume [521.4021]
_cell_formula_units_Z [2]
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  2  0.0000  0.0006  0.5000  1.0
  Ni  Ni1  2  0.0000  0.6680  0.0000  1.0
  Hg  Hg2  2  0.0000  0.3175  0.0000  1.0
  Cl  Cl3  4  0.1293  0.5222  0.1955  1.0
  Cl  Cl4  4  0.1505  0.8073  0.1928  1.0
  Cl  Cl5  4  0.2196  0.1774  0.2174  1.0
]