data_[Na2Ti1O4]
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 [P2/m]
_cell_length_a [5.0947]
_cell_length_b [3.0510]
_cell_length_c [6.0288]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na2TiO4]
_chemical_formula_sum '[Na2 Ti1 O4]'
_cell_volume [85.2592]
_cell_formula_units_Z [1]
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  2  0.3109  0.5000  0.6514  1
  Ti  Ti1  1  0.0000  0.0000  0.0000  1
  O  O2  2  0.0735  0.5000  0.2342  1
  O  O3  2  0.4302  0.0000  0.0843  1
]