data_[Ti8V4O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P-3c1]
_cell_length_a [5.1312]
_cell_length_b [5.1312]
_cell_length_c [14.1852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [165]
_chemical_formula_structural [Ti4V2O9]
_chemical_formula_sum '[Ti8 V4 O18]'
_cell_volume [323.4435]
_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
[
  Ti  Ti0  4  0.3333  0.6667  0.4819  1
  Ti  Ti1  4  0.3333  0.6667  0.6828  1
  V  V2  4  0.0000  0.0000  0.1499  1
  O  O3  12  0.0227  0.3749  0.5813  1
  O  O4  6  0.0000  0.3237  0.2500  1
]