data_[Cd4Fe4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3792]
_cell_length_b [5.5060]
_cell_length_c [9.3477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8686]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CdFeO3]
_chemical_formula_sum '[Cd4 Fe4 O12]'
_cell_volume [227.1522]
_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
[
  Cd  Cd0  4  0.2390  0.0481  0.2513  1.0
  Fe  Fe1  2  0.0000  0.0000  0.5000  1.0
  Fe  Fe2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.1359  0.2092  0.9435  1.0
  O  O4  4  0.2425  0.7016  0.9469  1.0
  O  O5  4  0.3474  0.0400  0.7448  1.0
]