data_[Al6Cd3B6O21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [4.8248]
_cell_length_b [4.8248]
_cell_length_c [23.5428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [Al2CdB2O7]
_chemical_formula_sum '[Al6 Cd3 B6 O21]'
_cell_volume [474.6164]
_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
[
  Al  Al0  6  0.0000  0.0000  0.5717  1.0
  Cd  Cd1  3  0.0000  0.0000  0.0000  1.0
  B  B2  6  0.0000  0.0000  0.2685  1.0
  O  O3  18  0.0299  0.3000  0.2698  1.0
  O  O4  3  0.0000  0.0000  0.5000  1.0
]