data_[Na10Ti4O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [11.1203]
_cell_length_b [12.0411]
_cell_length_c [3.2982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Na5Ti2O6]
_chemical_formula_sum '[Na10 Ti4 O12]'
_cell_volume [441.6233]
_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  0.1541  0.0034  0.5000  1
  Na  Na1  4  0.2451  0.2543  0.5000  1
  Na  Na2  2  0.0000  0.5000  0.5000  1
  Ti  Ti3  4  0.0055  0.7751  0.0000  1
  O  O4  4  0.0084  0.6935  0.5000  1
  O  O5  4  0.1307  0.1462  0.0000  1
  O  O6  4  0.1371  0.8600  0.0000  1
]