data_[La4Ti3O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [5.5660]
_cell_length_b [5.7462]
_cell_length_c [7.9677]
_cell_angle_alpha [91.4481]
_cell_angle_beta [90.8422]
_cell_angle_gamma [90.5814]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La4Ti3O12]
_chemical_formula_sum '[La4 Ti3 O12]'
_cell_volume [254.7064]
_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
[
  La  La0  2  0.0150  0.0473  0.2680  1.0
  La  La1  2  0.4880  0.5782  0.2738  1.0
  Ti  Ti2  1  0.0000  0.5000  0.0000  1.0
  Ti  Ti3  1  0.0000  0.5000  0.5000  1.0
  Ti  Ti4  1  0.5000  0.0000  0.0000  1.0
  O  O5  2  0.0843  0.5163  0.7573  1.0
  O  O6  2  0.1704  0.7881  0.4617  1.0
  O  O7  2  0.2169  0.7800  0.0501  1.0
  O  O8  2  0.2760  0.2887  0.0504  1.0
  O  O9  2  0.2872  0.3297  0.4551  1.0
  O  O10  2  0.4038  0.0189  0.7740  1.0
]