data_[Li12Ti4O14]
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 [9.9441]
_cell_length_b [5.8504]
_cell_length_c [5.1315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8265]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li6Ti2O7]
_chemical_formula_sum '[Li12 Ti4 O14]'
_cell_volume [279.0290]
_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  4  0.1307  0.5062  0.6862  1.0
  Li  Li1  4  0.1350  0.2328  0.2700  1.0
  Li  Li2  4  0.1369  0.7864  0.2753  1.0
  Ti  Ti3  4  0.1364  0.0084  0.7615  1.0
  O  O4  4  0.2474  0.5112  0.4491  1.0
  O  O5  4  0.2476  0.2663  0.9982  1.0
  O  O6  2  0.0000  0.0053  0.0000  1.0
  O  O7  2  0.0000  0.2364  0.5000  1.0
  O  O8  2  0.0000  0.7812  0.5000  1.0
]