data_[Bi5O9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [8.6226]
_cell_length_b [8.6226]
_cell_length_c [17.1364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Bi5O9]
_chemical_formula_sum '[Bi5 O9]'
_cell_volume [1103.3965]
_cell_formula_units_Z [1]
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
[
  Bi  Bi0  3  0.0000  0.5000  0.5584  1
  Bi  Bi1  2  0.3333  0.6667  0.4338  1
  O  O2  6  0.2224  0.4447  0.5259  1
  O  O3  3  0.0000  0.5000  0.4339  1
]