data_[Ba2Al2Bi2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Al  1.6100  1.2500  0.6750
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3000]
_cell_length_b [5.9085]
_cell_length_c [7.4309]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8868]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaAlBiO4]
_chemical_formula_sum '[Ba2 Al2 Bi2 O8]'
_cell_volume [252.9127]
_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  0.2918  0.2500  0.0351  1
  Al  Al1  2  0.2777  0.7500  0.3063  1
  Bi  Bi2  2  0.2040  0.2500  0.4779  1
  O  O3  4  0.0854  0.5125  0.2512  1
  O  O4  2  0.4586  0.7500  0.1759  1
  O  O5  2  0.4747  0.7500  0.5605  1
]