data_[Cs12Cd12Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.1288]
_cell_length_b [14.0147]
_cell_length_c [19.4668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Cs3Cd3Hg2]
_chemical_formula_sum '[Cs12 Cd12 Hg8]'
_cell_volume [1399.2408]
_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
[
  Cs  Cs0  8  0.0000  0.0451  0.6040  1
  Cs  Cs1  4  0.0000  0.3509  0.7500  1
  Cd  Cd2  8  0.0000  0.3132  0.5365  1
  Cd  Cd3  4  0.0000  0.3531  0.2500  1
  Hg  Hg4  8  0.0000  0.2417  0.1125  1
]