data_[K6Cd4Hg8]
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 [12.5362]
_cell_length_b [5.2552]
_cell_length_c [10.0172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3231]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3(CdHg2)2]
_chemical_formula_sum '[K6 Cd4 Hg8]'
_cell_volume [618.8612]
_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  4  0.1349  0.5000  0.6875  1.0
  K  K1  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  4  0.1662  0.5000  0.3319  1.0
  Hg  Hg3  4  0.0873  0.0000  0.4162  1.0
  Hg  Hg4  4  0.2292  0.5000  0.0693  1.0
]