data_[Ce1Cd4Hg2]
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 [P-1]
_cell_length_a [5.1833]
_cell_length_b [5.6691]
_cell_length_c [6.6211]
_cell_angle_alpha [106.9686]
_cell_angle_beta [101.3068]
_cell_angle_gamma [95.5319]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ce(Cd2Hg)2]
_chemical_formula_sum '[Ce1 Cd4 Hg2]'
_cell_volume [180.0114]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Cd  Cd1  2  0.0019  0.6369  0.3269  1
  Cd  Cd2  1  0.5000  0.5000  0.0000  1
  Cd  Cd3  1  0.5000  0.5000  0.5000  1
  Hg  Hg4  2  0.4176  0.0029  0.7057  1
]