data_[Li4Ti2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ti  1.5400  1.4000  0.8517
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [6.0080]
_cell_length_b [6.0080]
_cell_length_c [10.9637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Li2TiCl6]
_chemical_formula_sum '[Li4 Ti2 Cl12]'
_cell_volume [395.7458]
_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
[
  Li  Li0  4  0.0000  0.0000  0.3334  1.0
  Ti  Ti1  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.1916  0.8084  0.1550  1.0
  Cl  Cl3  4  0.2192  0.7808  0.5000  1.0
]