data_[Ce8Cd4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [11.1206]
_cell_length_b [5.0023]
_cell_length_c [9.7648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9840]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2CdHg2]
_chemical_formula_sum '[Ce8 Cd4 Hg8]'
_cell_volume [524.7292]
_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
[
  Ce  Ce0  4  0.0442  0.0000  0.3766  1.0
  Ce  Ce1  4  0.1681  0.0000  0.0561  1.0
  Cd  Cd2  4  0.2365  0.5000  0.2929  1.0
  Hg  Hg3  4  0.0259  0.5000  0.8568  1.0
  Hg  Hg4  4  0.1430  0.5000  0.5925  1.0
]