data_[Cs9Ge6Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.0606]
_cell_length_b [8.0606]
_cell_length_c [30.4087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs3(GeBr4)2]
_chemical_formula_sum '[Cs9 Ge6 Br24]'
_cell_volume [1711.0717]
_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  6  0.0000  0.0000  0.2085  1.0
  Cs  Cs1  3  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  6  0.0000  0.0000  0.4118  1.0
  Br  Br3  18  0.0241  0.5120  0.7699  1.0
  Br  Br4  6  0.0000  0.0000  0.3282  1.0
]