data_[Ti4Cd4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Cd  1.6900  1.5500  1.0900
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [5.4943]
_cell_length_b [5.3598]
_cell_length_c [7.8122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [TiCdO3]
_chemical_formula_sum '[Ti4 Cd4 O12]'
_cell_volume [230.0570]
_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
[
  Ti  Ti0  4  0.0101  0.4987  0.5103  1.0
  Cd  Cd1  4  0.0372  0.0108  0.2581  1.0
  O  O2  4  0.0297  0.4067  0.7415  1.0
  O  O3  4  0.1894  0.8019  0.5411  1.0
  O  O4  4  0.2214  0.7931  0.9441  1.0
]