data_[Li6Ti4Nb2O12]
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
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2951]
_cell_length_b [2.9404]
_cell_length_c [6.1046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4159]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Ti2NbO6]
_chemical_formula_sum '[Li6 Ti4 Nb2 O12]'
_cell_volume [227.7030]
_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  0.1685  0.0000  0.8206  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Ti  Ti2  4  0.1579  0.0000  0.3169  1.0
  Nb  Nb3  2  0.0000  0.5000  0.0000  1.0
  O  O4  4  0.0027  0.0000  0.7387  1.0
  O  O5  4  0.1728  0.5000  0.0959  1.0
  O  O6  4  0.1743  0.5000  0.5587  1.0
]