data_[Pr4Ti2Cd2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [C2/m]
_cell_length_a [9.9773]
_cell_length_b [5.6940]
_cell_length_c [5.7489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8422]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2TiCdO6]
_chemical_formula_sum '[Pr4 Ti2 Cd2 O12]'
_cell_volume [274.3970]
_cell_formula_units_Z [2]
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
[
  Pr  Pr0  4  0.2479  0.5000  0.2226  1.0
  Ti  Ti1  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  2  0.0000  0.5000  0.5000  1.0
  O  O3  8  0.0723  0.2391  0.8429  1.0
  O  O4  4  0.2201  0.0000  0.3411  1.0
]