data_[Na6Ti4V2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [13.9809]
_cell_length_b [3.0578]
_cell_length_c [6.5231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1038]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Ti2VO6]
_chemical_formula_sum '[Na6 Ti4 V2 O12]'
_cell_volume [265.0611]
_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
[
  Na  Na0  4  0.1639  0.5000  0.3330  1.0
  Na  Na1  2  0.0000  0.0000  0.0000  1.0
  Ti  Ti2  4  0.1630  0.5000  0.8267  1.0
  V  V3  2  0.0000  0.0000  0.5000  1.0
  O  O4  4  0.0169  0.5000  0.7422  1.0
  O  O5  4  0.1629  0.0000  0.6160  1.0
  O  O6  4  0.1797  0.0000  0.0549  1.0
]