data_[Cs3Rb6In3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.4463]
_cell_length_b [8.4463]
_cell_length_c [21.4400]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsRb2InBr6]
_chemical_formula_sum '[Cs3 Rb6 In3 Br18]'
_cell_volume [1324.6213]
_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  0.1858  1.0
  Rb  Rb1  3  0.0000  0.0000  0.4655  1.0
  Rb  Rb2  3  0.0000  0.0000  0.9756  1.0
  In  In3  3  0.0000  0.0000  0.6763  1.0
  Br  Br4  9  0.0386  0.2873  0.7465  1.0
  Br  Br5  9  0.0854  0.6877  0.2653  1.0
]