data_[Li4Ti16O32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.4512]
_cell_length_b [8.4512]
_cell_length_c [8.4512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [LiTi4O8]
_chemical_formula_sum '[Li4 Ti16 O32]'
_cell_volume [603.6018]
_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
[
  Li  Li0  4  0.2500  0.2500  0.7500  1
  Ti  Ti1  16  0.1264  0.1264  0.3736  1
  O  O2  16  0.1117  0.1117  0.6117  1
  O  O3  16  0.1404  0.1404  0.1404  1
]