data_[Na4Ti4O12]
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 [C2/m]
_cell_length_a [12.0655]
_cell_length_b [3.6822]
_cell_length_c [6.2308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7097]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaTiO3]
_chemical_formula_sum '[Na4 Ti4 O12]'
_cell_volume [268.9327]
_cell_formula_units_Z [4]
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  0.1261  0.5000  0.3489  1
  Ti  Ti1  4  0.1519  0.0000  0.8721  1
  O  O2  4  0.0109  0.0000  0.1227  1
  O  O3  4  0.1511  0.0000  0.5965  1
  O  O4  4  0.1763  0.5000  0.9831  1
]