data_[Ba2Bi2O5]
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 [P-3m1]
_cell_length_a [3.7707]
_cell_length_b [3.7707]
_cell_length_c [13.9453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ba2Bi2O5]
_chemical_formula_sum '[Ba2 Bi2 O5]'
_cell_volume [171.7100]
_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
[
  Ba  Ba0  2  0.3333  0.6667  0.3814  1
  Bi  Bi1  2  0.0000  0.0000  0.1546  1
  O  O2  2  0.3333  0.6667  0.1005  1
  O  O3  2  0.3333  0.6667  0.7309  1
  O  O4  1  0.0000  0.0000  0.5000  1
]