data_[Na6Ti2Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7614]
_cell_length_b [7.1228]
_cell_length_c [11.9963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1691]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na3TiCl6]
_chemical_formula_sum '[Na6 Ti2 Cl12]'
_cell_volume [478.0162]
_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  0.2804  0.0809  0.7561  1.0
  Na  Na1  2  0.5000  0.0000  0.5000  1.0
  Ti  Ti2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.1006  0.0494  0.2299  1.0
  Cl  Cl4  4  0.2281  0.7121  0.0698  1.0
  Cl  Cl5  4  0.3595  0.1767  0.0631  1.0
]