data_[Bi2B2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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/c]
_cell_length_a [4.3668]
_cell_length_b [4.9889]
_cell_length_c [6.4789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0879]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [BiBO3]
_chemical_formula_sum '[Bi2 B2 O6]'
_cell_volume [135.6185]
_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
[
  Bi  Bi0  2  0.0000  0.2084  0.2500  1.0
  B  B1  2  0.5000  0.2949  0.7500  1.0
  O  O2  4  0.2374  0.1531  0.6270  1.0
  O  O3  2  0.5000  0.4296  0.2500  1.0
]