data_[La4Ti4Nb4O24]
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
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [11.2620]
_cell_length_b [8.9537]
_cell_length_c [5.3172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [LaTiNbO6]
_chemical_formula_sum '[La4 Ti4 Nb4 O24]'
_cell_volume [486.6313]
_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  2  0.0000  0.1847  0.0000  1.0
  La  La1  2  0.0000  0.8119  0.5000  1.0
  Ti  Ti2  4  0.2352  0.5830  0.2046  1.0
  Nb  Nb3  4  0.2292  0.4190  0.6971  1.0
  O  O4  4  0.1397  0.0401  0.4023  1.0
  O  O5  4  0.1398  0.2534  0.7761  1.0
  O  O6  4  0.1402  0.4210  0.2866  1.0
  O  O7  4  0.1403  0.9598  0.8997  1.0
  O  O8  4  0.1406  0.5839  0.7959  1.0
  O  O9  4  0.1460  0.7415  0.2823  1.0
]