data_[Ti4In12Cl24]
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 [Fmmm]
_cell_length_a [8.8223]
_cell_length_b [10.9017]
_cell_length_c [13.3266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ti(InCl2)3]
_chemical_formula_sum '[Ti4 In12 Cl24]'
_cell_volume [1281.7252]
_cell_formula_units_Z [4]
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  0.0000  0.0000  0.0000  1.0
  In  In1  8  0.2500  0.2500  0.2500  1.0
  In  In2  4  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  16  0.1950  0.0000  0.1288  1.0
  Cl  Cl4  8  0.0000  0.2218  0.0000  1.0
]