data_[Li2Ti6O16]
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/m]
_cell_length_a [9.0181]
_cell_length_b [6.1730]
_cell_length_c [5.5299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0934]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiTi3O8]
_chemical_formula_sum '[Li2 Ti6 O16]'
_cell_volume [307.0545]
_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  0.0000  0.0000  1
  Ti  Ti1  4  0.1250  0.5000  0.1842  1
  Ti  Ti2  2  0.0000  0.0000  0.5000  1
  O  O3  8  0.0844  0.2183  0.2902  1
  O  O4  4  0.1050  0.5000  0.8507  1
  O  O5  4  0.1696  0.0000  0.7358  1
]