data_[Li4Ti4V10O24]
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]
_cell_length_a [5.1371]
_cell_length_b [9.1272]
_cell_length_c [9.9202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2603]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Li2Ti2V5O12]
_chemical_formula_sum '[Li4 Ti4 V10 O24]'
_cell_volume [456.1839]
_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  0.2438  0.4182  0.4993  1
  Li  Li1  2  0.4889  0.4097  0.2640  1
  Ti  Ti2  2  0.2194  0.7459  0.4883  1
  Ti  Ti3  2  0.2277  0.2484  0.9941  1
  V  V4  2  0.0026  0.2531  0.2581  1
  V  V5  2  0.2532  0.9270  0.9936  1
  V  V6  2  0.2534  0.0715  0.4868  1
  V  V7  2  0.2609  0.5778  0.9910  1
  V  V8  2  0.4905  0.2608  0.7415  1
  O  O9  2  0.1137  0.1002  0.1100  1
  O  O10  2  0.1144  0.6027  0.6136  1
  O  O11  2  0.1270  0.2378  0.6114  1
  O  O12  2  0.1342  0.7489  0.1069  1
  O  O13  2  0.1401  0.4027  0.1159  1
  O  O14  2  0.1481  0.8988  0.6111  1
  O  O15  2  0.3549  0.2510  0.3780  1
  O  O16  2  0.3706  0.7544  0.8804  1
  O  O17  2  0.3726  0.4026  0.8834  1
  O  O18  2  0.3769  0.8995  0.3852  1
  O  O19  2  0.3868  0.1035  0.8806  1
  O  O20  2  0.4005  0.6033  0.3831  1
]