data_[Li2Ti2V4O12]
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 [Cm]
_cell_length_a [12.5121]
_cell_length_b [3.0251]
_cell_length_c [6.0204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6833]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiTiV2O6]
_chemical_formula_sum '[Li2 Ti2 V4 O12]'
_cell_volume [222.3150]
_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  0.3337  0.0000  0.1649  1.0
  Ti  Ti1  2  0.1511  0.5000  0.3697  1.0
  V  V2  2  0.0148  0.0000  0.9727  1.0
  V  V3  2  0.3387  0.0000  0.6619  1.0
  O  O4  2  0.0043  0.5000  0.2031  1.0
  O  O5  2  0.0044  0.5000  0.7653  1.0
  O  O6  2  0.1612  0.0000  0.1276  1.0
  O  O7  2  0.1669  0.0000  0.5671  1.0
  O  O8  2  0.3166  0.5000  0.4273  1.0
  O  O9  2  0.3548  0.5000  0.9024  1.0
]