data_[Cs3Ti3In6Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [R3]
_cell_length_a [7.7446]
_cell_length_b [7.7446]
_cell_length_c [20.0968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsTi(InCl3)2]
_chemical_formula_sum '[Cs3 Ti3 In6 Cl18]'
_cell_volume [1043.8957]
_cell_formula_units_Z [3]
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
[
  Cs  Cs0  3  0.0000  0.0000  0.1874  1.0
  Ti  Ti1  3  0.0000  0.0000  0.6739  1.0
  In  In2  3  0.0000  0.0000  0.4731  1.0
  In  In3  3  0.0000  0.0000  0.9854  1.0
  Cl  Cl4  9  0.0116  0.7521  0.5961  1.0
  Cl  Cl5  9  0.0138  0.2691  0.7399  1.0
]