data_[Cs3Ti3In6Br18]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.0325]
_cell_length_b [8.0325]
_cell_length_c [21.1462]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsTi(InBr3)2]
_chemical_formula_sum '[Cs3 Ti3 In6 Br18]'
_cell_volume [1181.5888]
_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  0.8129  1.0
  Ti  Ti1  3  0.0000  0.0000  0.3271  1.0
  In  In2  3  0.0000  0.0000  0.0067  1.0
  In  In3  3  0.0000  0.0000  0.5240  1.0
  Br  Br4  9  0.0666  0.3958  0.9261  1.0
  Br  Br5  9  0.0871  0.6909  0.0707  1.0
]