data_[La8Ti8O20]
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 [Imma]
_cell_length_a [5.5220]
_cell_length_b [15.8163]
_cell_length_c [5.5979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [La2Ti2O5]
_chemical_formula_sum '[La8 Ti8 O20]'
_cell_volume [488.9071]
_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
[
  La  La0  8  0.0000  0.1264  0.9965  1
  Ti  Ti1  4  0.0000  0.0000  0.5000  1
  Ti  Ti2  4  0.0000  0.2500  0.4845  1
  O  O3  8  0.0000  0.1271  0.4479  1
  O  O4  8  0.2500  0.0145  0.7500  1
  O  O5  4  0.2500  0.2500  0.7500  1
]