data_[Ba12Al6Bi6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Al  1.6100  1.2500  0.6750
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.9207]
_cell_length_b [5.9207]
_cell_length_c [29.3763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2AlBiO6]
_chemical_formula_sum '[Ba12 Al6 Bi6 O36]'
_cell_volume [891.8027]
_cell_formula_units_Z [6]
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  0.1312  1.0
  Ba  Ba1  6  0.0000  0.0000  0.2837  1.0
  Al  Al2  3  -0.0000  -0.0000  0.5000  1.0
  Al  Al3  3  0.0000  0.0000  0.0000  1.0
  Bi  Bi4  6  0.0000  0.0000  0.4076  1.0
  O  O5  18  0.0232  0.5116  0.7053  1.0
  O  O6  18  0.0307  0.5154  0.1258  1.0
]