data_[Ca9Ce3Cd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ce  1.1200  1.8500  1.0800
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4190]
_cell_length_b [5.4190]
_cell_length_c [26.6405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ca3CeCd4]
_chemical_formula_sum '[Ca9 Ce3 Cd12]'
_cell_volume [677.5145]
_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
[
  Ca  Ca0  6  0.0000  0.0000  0.2492  1
  Ca  Ca1  3  -0.0000  -0.0000  0.5000  1
  Ce  Ce2  3  0.0000  0.0000  0.0000  1
  Cd  Cd3  6  0.0000  0.0000  0.1242  1
  Cd  Cd4  6  0.0000  0.0000  0.3754  1
]