data_[K8Cd8Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4087]
_cell_length_b [5.2128]
_cell_length_c [12.8089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.5675]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Cd2Hg]
_chemical_formula_sum '[K8 Cd8 Hg4]'
_cell_volume [734.4649]
_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  0.0056  0.5000  0.3317  1.0
  K  K1  4  0.2016  0.5000  0.1186  1.0
  Cd  Cd2  4  0.0057  0.0000  0.8869  1.0
  Cd  Cd3  4  0.1423  0.0000  0.5516  1.0
  Hg  Hg4  4  0.2181  0.0000  0.3510  1.0
]