data_[Na1Ti6O12]
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 [P1]
_cell_length_a [5.8658]
_cell_length_b [5.8687]
_cell_length_c [7.2944]
_cell_angle_alpha [95.7098]
_cell_angle_beta [96.1319]
_cell_angle_gamma [119.0383]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaTi6O12]
_chemical_formula_sum '[Na1 Ti6 O12]'
_cell_volume [214.9535]
_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  1  0.3555  0.3495  0.4148  1
  Ti  Ti1  1  0.0122  0.0013  0.9977  1
  Ti  Ti2  1  0.0579  0.6098  0.3189  1
  Ti  Ti3  1  0.4355  0.9182  0.7046  1
  Ti  Ti4  1  0.4955  0.4859  0.9981  1
  Ti  Ti5  1  0.6058  0.0532  0.3112  1
  Ti  Ti6  1  0.9264  0.4237  0.6988  1
  O  O7  1  0.0974  0.8032  0.8120  1
  O  O8  1  0.1187  0.3143  0.8797  1
  O  O9  1  0.2309  0.5611  0.5782  1
  O  O10  1  0.2745  0.9548  0.4484  1
  O  O11  1  0.3891  0.1808  0.1297  1
  O  O12  1  0.3998  0.6870  0.2136  1
  O  O13  1  0.5952  0.3087  0.8022  1
  O  O14  1  0.6235  0.8256  0.8865  1
  O  O15  1  0.7364  0.0433  0.5660  1
  O  O16  1  0.7695  0.4486  0.4496  1
  O  O17  1  0.8743  0.6857  0.1323  1
  O  O18  1  0.9224  0.2047  0.2169  1
]