data_[Li4Ti2V6O16]
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 [P2_1/m]
_cell_length_a [6.0362]
_cell_length_b [5.9305]
_cell_length_c [8.5826]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8452]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li2TiV3O8]
_chemical_formula_sum '[Li4 Ti2 V6 O16]'
_cell_volume [307.2051]
_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  0.5000  1
  Li  Li1  2  0.5000  0.0000  0.0000  1
  Ti  Ti2  2  0.2550  0.2500  0.2487  1
  V  V3  2  0.0000  0.0000  0.0000  1
  V  V4  2  0.2490  0.7500  0.2487  1
  V  V5  2  0.5000  0.0000  0.5000  1
  O  O6  4  0.0386  0.5063  0.2430  1
  O  O7  4  0.4621  0.5061  0.2552  1
  O  O8  2  0.2344  0.7500  0.0181  1
  O  O9  2  0.2351  0.2500  0.0199  1
  O  O10  2  0.2664  0.2500  0.4797  1
  O  O11  2  0.2675  0.7500  0.4813  1
]