data_[Ce6Cd45Hg6]
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 [R-3m]
_cell_length_a [10.1701]
_cell_length_b [10.1701]
_cell_length_c [15.0181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ce2Cd15Hg2]
_chemical_formula_sum '[Ce6 Cd45 Hg6]'
_cell_volume [1345.2277]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3302  1.0
  Cd  Cd1  18  0.0000  0.3010  0.0000  1.0
  Cd  Cd2  18  0.0165  0.5082  0.1474  1.0
  Cd  Cd3  9  0.0000  0.5000  0.5000  1.0
  Hg  Hg4  6  0.0000  0.0000  0.1048  1.0
]