data_[Na4Ti6Cl16]
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 [C2/m]
_cell_length_a [14.1799]
_cell_length_b [6.9794]
_cell_length_c [5.9584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7572]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Ti3Cl8]
_chemical_formula_sum '[Na4 Ti6 Cl16]'
_cell_volume [575.1292]
_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  0.2359  0.5000  0.6670  1
  Ti  Ti1  4  0.0000  0.2060  0.0000  1
  Ti  Ti2  2  0.0000  0.0000  0.5000  1
  Cl  Cl3  8  0.1101  0.2404  0.3855  1
  Cl  Cl4  4  0.0948  0.5000  0.8988  1
  Cl  Cl5  4  0.1206  0.0000  0.8853  1
]