data_[Li6Bi2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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/c]
_cell_length_a [5.2672]
_cell_length_b [6.3576]
_cell_length_c [5.3505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8741]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Li3BiO4]
_chemical_formula_sum '[Li6 Bi2 O8]'
_cell_volume [170.5225]
_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
[
  Li  Li0  2  0.0000  0.3881  0.2500  1.0
  Li  Li1  2  0.5000  0.1529  0.2500  1.0
  Li  Li2  2  0.5000  0.4310  0.7500  1.0
  Bi  Bi3  2  0.0000  0.1495  0.7500  1.0
  O  O4  4  0.2364  0.1066  0.4868  1.0
  O  O5  4  0.2526  0.3731  0.9845  1.0
]