data_[Li2Bi2B4O12]
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
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.6209]
_cell_length_b [5.9867]
_cell_length_c [9.0812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.7933]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiBi(BO3)2]
_chemical_formula_sum '[Li2 Bi2 B4 O12]'
_cell_volume [222.2412]
_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  0.5000  0.0000  0.0000  1
  Bi  Bi1  2  0.0000  0.0000  0.5000  1
  B  B2  4  0.2643  0.6389  0.7596  1
  O  O3  4  0.0111  0.0541  0.7374  1
  O  O4  4  0.2425  0.6879  0.6047  1
  O  O5  4  0.4538  0.1837  0.5939  1
]