data_[Ba6Mg36Al3Cd9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.5046]
_cell_length_b [7.5046]
_cell_length_c [32.3201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2Mg12AlCd3]
_chemical_formula_sum '[Ba6 Mg36 Al3 Cd9]'
_cell_volume [1576.3924]
_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
[
  Ba  Ba0  6  0.0000  0.0000  0.3524  1
  Mg  Mg1  18  0.0471  0.5235  0.5966  1
  Mg  Mg2  18  0.0698  0.5349  0.1204  1
  Al  Al3  3  0.0000  0.0000  0.0000  1
  Cd  Cd4  9  0.0000  0.5000  0.5000  1
]