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 [Pmc2_1]
_cell_length_a [7.6891]
_cell_length_b [5.4002]
_cell_length_c [5.5238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [TiCdO3]
_chemical_formula_sum '[Ti4 Cd4 O12]'
_cell_volume [229.3656]
_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  0.2508  0.2432  0.1683  1.0
  Cd  Cd1  2  0.0000  0.2499  0.6169  1.0
  Cd  Cd2  2  0.5000  0.2622  0.6944  1.0
  O  O3  4  0.2040  0.0490  0.8426  1.0
  O  O4  4  0.2981  0.4460  0.4379  1.0
  O  O5  2  0.0000  0.3373  0.1699  1.0
  O  O6  2  0.5000  0.1598  0.1113  1.0
]