data_[Ba8Bi6O22]
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 [Amm2]
_cell_length_a [8.9436]
_cell_length_b [8.8034]
_cell_length_c [8.8158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ba4Bi3O11]
_chemical_formula_sum '[Ba8 Bi6 O22]'
_cell_volume [694.0984]
_cell_formula_units_Z [2]
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  8  0.2571  0.2283  0.7239  1.0
  Bi  Bi1  2  0.0000  0.0000  0.9940  1.0
  Bi  Bi2  2  0.5000  0.0000  0.4785  1.0
  Bi  Bi3  2  0.5000  0.0000  0.9876  1.0
  O  O4  4  0.0000  0.1967  0.1148  1.0
  O  O5  4  0.2496  0.0000  0.9817  1.0
  O  O6  4  0.2690  0.0000  0.4921  1.0
  O  O7  4  0.5000  0.2494  0.9919  1.0
  O  O8  2  0.0000  0.0000  0.7629  1.0
  O  O9  2  0.5000  0.0000  0.2341  1.0
  O  O10  2  0.5000  0.0000  0.7366  1.0
]