data_[Ti4V2O12]
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 [P4_2/mnm]
_cell_length_a [4.6091]
_cell_length_b [4.6091]
_cell_length_c [8.9501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Ti2VO6]
_chemical_formula_sum '[Ti4 V2 O12]'
_cell_volume [190.1363]
_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  0.0000  0.0000  0.1691  1.0
  V  V1  2  0.0000  0.0000  0.5000  1.0
  O  O2  8  0.1959  0.8041  0.3319  1.0
  O  O3  4  0.2015  0.7985  0.0000  1.0
]