data_[Pr2Ti4O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9856]
_cell_length_b [3.8367]
_cell_length_c [7.2568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8406]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrTi2O6]
_chemical_formula_sum '[Pr2 Ti4 O12]'
_cell_volume [245.8382]
_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  2  0.0000  0.0000  0.0000  1.0
  Ti  Ti1  4  0.1710  0.0000  0.6048  1.0
  O  O2  4  0.0194  0.0000  0.6834  1.0
  O  O3  4  0.1629  0.5000  0.1294  1.0
  O  O4  4  0.2091  0.5000  0.5828  1.0
]