data_[Cs3K6Ti3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Ti  1.5400  1.4000  0.8517
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.7046]
_cell_length_b [8.7046]
_cell_length_c [22.7921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsK2TiI6]
_chemical_formula_sum '[Cs3 K6 Ti3 I18]'
_cell_volume [1495.5996]
_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  0.1840  1.0
  K  K1  3  0.0000  0.0000  0.4728  1.0
  K  K2  3  0.0000  0.0000  0.9876  1.0
  Ti  Ti3  3  0.0000  0.0000  0.6726  1.0
  I  I4  9  0.0011  0.7380  0.5977  1.0
  I  I5  9  0.0182  0.2805  0.7428  1.0
]