data_[Ce16Co8Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Co  1.8800  1.3500  0.7683
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.3530]
_cell_length_b [8.7422]
_cell_length_c [6.4287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3046]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce4Co2Hg3]
_chemical_formula_sum '[Ce16 Co8 Hg12]'
_cell_volume [862.8426]
_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  8  0.0883  0.2290  0.3913  1.0
  Ce  Ce1  8  0.2199  0.4329  0.9082  1.0
  Co  Co2  8  0.2417  0.2312  0.6902  1.0
  Hg  Hg3  8  0.0885  0.1303  0.8786  1.0
  Hg  Hg4  4  0.0000  0.4504  0.7500  1.0
]