data_[Ba6Bi6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.1953]
_cell_length_b [6.1953]
_cell_length_c [17.1209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [BaBiO3]
_chemical_formula_sum '[Ba6 Bi6 O18]'
_cell_volume [569.0944]
_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  3  0.0000  0.0000  0.1264  1.0
  Ba  Ba1  3  0.0000  0.0000  0.8669  1.0
  Bi  Bi2  3  0.0000  0.0000  0.3421  1.0
  Bi  Bi3  3  0.0000  0.0000  0.6531  1.0
  O  O4  9  0.0004  0.5919  0.0742  1.0
  O  O5  9  0.0183  0.2838  0.2629  1.0
]