data_[Na4Ti16O32]
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_1/c]
_cell_length_a [5.9385]
_cell_length_b [11.3107]
_cell_length_c [11.3522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.3187]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaTi4O8]
_chemical_formula_sum '[Na4 Ti16 O32]'
_cell_volume [651.4021]
_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  0.2495  0.5736  0.9014  1
  Ti  Ti1  4  0.1062  0.1247  0.9839  1
  Ti  Ti2  4  0.1317  0.1698  0.2568  1
  Ti  Ti3  4  0.3609  0.6544  0.2354  1
  Ti  Ti4  4  0.3935  0.6233  0.5212  1
  O  O5  4  0.0246  0.5905  0.1542  1
  O  O6  4  0.0279  0.5417  0.4021  1
  O  O7  4  0.2424  0.1875  0.8696  1
  O  O8  4  0.2440  0.7306  0.3675  1
  O  O9  4  0.2493  0.6941  0.6268  1
  O  O10  4  0.2617  0.2295  0.1356  1
  O  O11  4  0.4702  0.0917  0.3535  1
  O  O12  4  0.4734  0.0413  0.0990  1
]