data_[Ce12Th18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [9.6607]
_cell_length_b [9.6607]
_cell_length_c [11.0914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Ce2Th3]
_chemical_formula_sum '[Ce12 Th18]'
_cell_volume [896.4755]
_cell_formula_units_Z [6]
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  12  0.0000  0.0000  0.1274  1
  Th  Th1  18  0.0000  0.3471  0.7500  1
]