data_[Li4Ti8O16]
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 [Cmcm]
_cell_length_a [2.9092]
_cell_length_b [9.5911]
_cell_length_c [9.9228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiTi2O4]
_chemical_formula_sum '[Li4 Ti8 O16]'
_cell_volume [276.8719]
_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  0.0000  0.3868  0.2500  1.0
  Ti  Ti1  8  0.0000  0.1297  0.0743  1.0
  O  O2  8  0.0000  0.2300  0.6101  1.0
  O  O3  4  0.0000  0.0504  0.2500  1.0
  O  O4  4  0.0000  0.5000  0.0000  1.0
]