data_[Ba9Bi6O24]
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 [R-3m]
_cell_length_a [6.1130]
_cell_length_b [6.1130]
_cell_length_c [21.8040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba3(BiO4)2]
_chemical_formula_sum '[Ba9 Bi6 O24]'
_cell_volume [705.6250]
_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  0.2000  1
  Ba  Ba1  3  0.0000  0.0000  0.0000  1
  Bi  Bi2  6  0.0000  0.0000  0.4058  1
  O  O3  18  0.0240  0.5120  0.7695  1
  O  O4  6  0.0000  0.0000  0.3142  1
]