data_[Cs3Al6Ga3I24]
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
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.6458]
_cell_length_b [7.6458]
_cell_length_c [33.3034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [CsAl2GaI8]
_chemical_formula_sum '[Cs3 Al6 Ga3 I24]'
_cell_volume [1686.0429]
_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  0.2483  1.0
  Ga  Ga2  3  0.0000  0.0000  0.0000  1.0
  I  I3  18  0.0045  0.6468  0.9397  1.0
  I  I4  6  0.0000  0.0000  0.1715  1.0
]