data_[Rb3Ti3In6Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [7.6549]
_cell_length_b [7.6549]
_cell_length_c [19.4158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [RbTi(InCl3)2]
_chemical_formula_sum '[Rb3 Ti3 In6 Cl18]'
_cell_volume [985.2931]
_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
[
  Rb  Rb0  3  0.0000  0.0000  0.8146  1.0
  Ti  Ti1  3  0.0000  0.0000  0.3234  1.0
  In  In2  3  0.0000  0.0000  0.0226  1.0
  In  In3  3  0.0000  0.0000  0.5290  1.0
  Cl  Cl4  9  0.0197  0.7575  0.4026  1.0
  Cl  Cl5  9  0.0930  0.3844  0.9219  1.0
]