data_[Li4Ti6V2O16]
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
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3782]
_cell_length_b [5.9644]
_cell_length_c [6.0549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4770]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Ti3VO8]
_chemical_formula_sum '[Li4 Ti6 V2 O16]'
_cell_volume [308.9628]
_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  1.0
  Li  Li1  2  0.0000  0.5000  0.0000  1.0
  Ti  Ti2  4  0.2500  0.2500  0.5000  1.0
  Ti  Ti3  2  0.0000  0.5000  0.5000  1.0
  V  V4  2  0.0000  0.0000  0.5000  1.0
  O  O5  8  0.0191  0.2631  0.2847  1.0
  O  O6  4  0.2366  0.5000  0.7091  1.0
  O  O7  4  0.2469  0.0000  0.7059  1.0
]