data_[Ba2Li2Bi2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  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 [7.5439]
_cell_length_b [3.6056]
_cell_length_c [7.6045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8039]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaLiBiO3]
_chemical_formula_sum '[Ba2 Li2 Bi2 O6]'
_cell_volume [200.8729]
_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  0.2351  0.7500  0.1931  1
  Li  Li1  2  0.4064  0.2500  0.9186  1
  Bi  Bi2  2  0.1753  0.7500  0.6671  1
  O  O3  2  0.1403  0.2500  0.8710  1
  O  O4  2  0.1712  0.2500  0.4358  1
  O  O5  2  0.4743  0.7500  0.8285  1
]