data_[Cs3Al6In3Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.2478]
_cell_length_b [7.2478]
_cell_length_c [31.4896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [CsAl2InBr8]
_chemical_formula_sum '[Cs3 Al6 In3 Br24]'
_cell_volume [1432.5454]
_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  0.5000  1.0
  Al  Al1  6  0.0000  0.0000  0.2455  1.0
  In  In2  3  0.0000  0.0000  0.0000  1.0
  Br  Br3  18  0.0092  0.6234  0.9365  1.0
  Br  Br4  6  0.0000  0.0000  0.1717  1.0
]