data_[Pr8Ti8O24]
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 [Cmcm]
_cell_length_a [7.8581]
_cell_length_b [7.8637]
_cell_length_c [7.9846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [PrTiO3]
_chemical_formula_sum '[Pr8 Ti8 O24]'
_cell_volume [493.4032]
_cell_formula_units_Z [8]
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  0.0000  0.0220  0.2500  1.0
  Pr  Pr1  4  0.0000  0.4822  0.7500  1.0
  Ti  Ti2  8  0.2500  0.2500  0.0000  1.0
  O  O3  8  0.0000  0.2013  0.5390  1.0
  O  O4  8  0.1985  0.5000  0.0000  1.0
  O  O5  8  0.2117  0.2467  0.2500  1.0
]