data_[Li2Ti8O16]
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 [C2]
_cell_length_a [12.6434]
_cell_length_b [3.8273]
_cell_length_c [6.4934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8380]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [LiTi4O8]
_chemical_formula_sum '[Li2 Ti8 O16]'
_cell_volume [299.1114]
_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
[
  Li  Li0  2  0.0000  0.6756  0.0000  1.0
  Ti  Ti1  4  0.1011  0.4884  0.6891  1.0
  Ti  Ti2  4  0.2031  0.4925  0.2926  1.0
  O  O3  4  0.0551  0.5145  0.3437  1.0
  O  O4  4  0.1343  0.0003  0.6882  1.0
  O  O5  4  0.1410  0.5042  0.0014  1.0
  O  O6  4  0.2364  0.9973  0.3486  1.0
]