data_[Ce1Ti2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.8212]
_cell_length_b [4.4227]
_cell_length_c [7.0232]
_cell_angle_alpha [102.2444]
_cell_angle_beta [98.5837]
_cell_angle_gamma [98.6422]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CeTi2O6]
_chemical_formula_sum '[Ce1 Ti2 O6]'
_cell_volume [112.6422]
_cell_formula_units_Z [1]
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
[
  Ce  Ce0  1  0.0000  0.0000  0.0000  1
  Ti  Ti1  2  0.2754  0.4131  0.6460  1
  O  O2  2  0.2183  0.4806  0.3679  1
  O  O3  2  0.2492  0.0367  0.6932  1
  O  O4  2  0.3860  0.6409  0.9188  1
]