data_[La6Ti8O24]
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 [Amm2]
_cell_length_a [7.8363]
_cell_length_b [7.8044]
_cell_length_c [7.8988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [La3Ti4O12]
_chemical_formula_sum '[La6 Ti8 O24]'
_cell_volume [483.0715]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.2497  1.0
  La  La1  2  0.0000  0.0000  0.7426  1.0
  La  La2  2  0.5000  0.0000  0.7437  1.0
  Ti  Ti3  8  0.2571  0.2497  0.9985  1.0
  O  O4  8  0.2360  0.2427  0.7509  1.0
  O  O5  4  0.0000  0.2053  0.4957  1.0
  O  O6  4  0.1992  0.0000  0.0006  1.0
  O  O7  4  0.2794  0.0000  0.5179  1.0
  O  O8  4  0.5000  0.2140  0.9913  1.0
]