data_[Li24Ti24V8O64]
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 [19.7480]
_cell_length_b [5.9191]
_cell_length_c [10.5018]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1812]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Ti3VO8]
_chemical_formula_sum '[Li24 Ti24 V8 O64]'
_cell_volume [1204.2591]
_cell_formula_units_Z [8]
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  8  0.1246  0.2514  0.1235  1
  Li  Li1  8  0.1251  0.2518  0.6260  1
  Li  Li2  4  0.2492  0.5000  0.7505  1
  Li  Li3  2  0.0000  0.0000  0.5000  1
  Li  Li4  2  0.0000  0.5000  0.0000  1
  Ti  Ti5  8  0.0013  0.2528  0.7524  1
  Ti  Ti6  4  0.1229  0.5000  0.3750  1
  Ti  Ti7  4  0.1237  0.0000  0.8730  1
  Ti  Ti8  4  0.2500  0.2500  0.0000  1
  Ti  Ti9  4  0.2500  0.2500  0.5000  1
  V  V10  4  0.1240  0.5000  0.8741  1
  V  V11  4  0.1248  0.0000  0.3750  1
  O  O12  8  0.0637  0.2420  0.9266  1
  O  O13  8  0.0653  0.2501  0.4251  1
  O  O14  8  0.1852  0.2511  0.3266  1
  O  O15  8  0.1866  0.2434  0.8265  1
  O  O16  4  0.0580  0.5000  0.6943  1
  O  O17  4  0.0596  0.0000  0.2016  1
  O  O18  4  0.0609  0.5000  0.1925  1
  O  O19  4  0.0620  0.0000  0.6943  1
  O  O20  4  0.1892  0.5000  0.5560  1
  O  O21  4  0.1892  0.0000  0.0545  1
  O  O22  4  0.1907  0.0000  0.5502  1
  O  O23  4  0.1919  0.5000  0.0522  1
]