data_[Ba10Bi6O22]
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 [9.1715]
_cell_length_b [8.9043]
_cell_length_c [9.0328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ba5Bi3O11]
_chemical_formula_sum '[Ba10 Bi6 O22]'
_cell_volume [737.6664]
_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  0.2211  0.2390  0.2739  1.0
  Ba  Ba1  2  0.5000  0.0000  0.9903  1.0
  Bi  Bi2  2  0.0000  0.0000  0.0248  1.0
  Bi  Bi3  2  0.0000  0.0000  0.5205  1.0
  Bi  Bi4  2  0.5000  0.0000  0.4902  1.0
  O  O5  4  0.0000  0.2459  0.0160  1.0
  O  O6  4  0.2355  0.0000  0.0560  1.0
  O  O7  4  0.2504  0.0000  0.4851  1.0
  O  O8  4  0.5000  0.2098  0.3673  1.0
  O  O9  2  0.0000  0.0000  0.2708  1.0
  O  O10  2  0.0000  0.0000  0.7794  1.0
  O  O11  2  0.5000  0.0000  0.7216  1.0
]