data_[Ce2Cd22Hg2]
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 [6.0258]
_cell_length_b [14.1508]
_cell_length_c [7.6734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0723]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeCd11Hg]
_chemical_formula_sum '[Ce2 Cd22 Hg2]'
_cell_volume [601.9772]
_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
[
  Ce  Ce0  2  0.0000  0.0000  0.0000  1
  Cd  Cd1  8  0.1037  0.3934  0.2126  1
  Cd  Cd2  8  0.1779  0.1765  0.3511  1
  Cd  Cd3  4  0.2500  0.2500  0.0000  1
  Cd  Cd4  2  0.0000  0.5000  0.5000  1
  Hg  Hg5  2  0.0000  0.0000  0.5000  1
]