data_[Ba6Bi2O4]
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 [Pmc2_1]
_cell_length_a [3.7361]
_cell_length_b [13.0024]
_cell_length_c [7.1143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Ba3BiO2]
_chemical_formula_sum '[Ba6 Bi2 O4]'
_cell_volume [345.6036]
_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  2  0.0000  0.4081  0.2619  1.0
  Ba  Ba1  2  0.5000  0.1159  0.0769  1.0
  Ba  Ba2  2  0.5000  0.3366  0.7857  1.0
  Bi  Bi3  2  0.0000  0.1354  0.5274  1.0
  O  O4  2  0.0000  0.2640  0.0112  1.0
  O  O5  2  0.5000  0.4971  0.5382  1.0
]