data_[Cs3Cd6In6Br21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [7.6730]
_cell_length_b [7.6730]
_cell_length_c [34.6878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [CsCd2In2Br7]
_chemical_formula_sum '[Cs3 Cd6 In6 Br21]'
_cell_volume [1768.6499]
_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
  Cd  Cd1  6  0.0000  0.0000  0.0783  1.0
  In  In2  6  0.0000  0.0000  0.2910  1.0
  Br  Br3  18  0.0166  0.3811  0.4323  1.0
  Br  Br4  3  0.0000  0.0000  0.0000  1.0
]