data_[Pr12Ti4O24]
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 [Cmc2_1]
_cell_length_a [9.3972]
_cell_length_b [11.6192]
_cell_length_c [5.7514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr3TiO6]
_chemical_formula_sum '[Pr12 Ti4 O24]'
_cell_volume [627.9892]
_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
[
  Pr  Pr0  8  0.1881  0.0999  0.9768  1.0
  Pr  Pr1  4  0.0000  0.3981  0.9368  1.0
  Ti  Ti2  4  0.0000  0.1905  0.5096  1.0
  O  O3  8  0.1498  0.2570  0.6714  1.0
  O  O4  8  0.1568  0.4869  0.2086  1.0
  O  O5  4  0.0000  0.0361  0.6368  1.0
  O  O6  4  0.0000  0.2193  0.1886  1.0
]