data_[Ti4In2Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7019]
_cell_length_b [8.2708]
_cell_length_c [7.6316]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7547]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2InCl8]
_chemical_formula_sum '[Ti4 In2 Cl16]'
_cell_volume [840.0461]
_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
[
  Ti  Ti0  4  0.2021  0.0000  0.6793  1.0
  In  In1  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.1265  0.2099  0.7770  1.0
  Cl  Cl3  4  0.1348  0.5000  0.1970  1.0
  Cl  Cl4  4  0.1732  0.0000  0.3777  1.0
]