data_[Bi1B3O6]
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 [P1]
_cell_length_a [4.3767]
_cell_length_b [4.4225]
_cell_length_c [6.6908]
_cell_angle_alpha [82.2266]
_cell_angle_beta [77.3310]
_cell_angle_gamma [69.6888]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Bi(BO2)3]
_chemical_formula_sum '[Bi1 B3 O6]'
_cell_volume [118.2500]
_cell_formula_units_Z [1]
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  1  0.9251  0.0806  0.0215  1.0
  B  B1  1  0.2220  0.2444  0.3465  1.0
  B  B2  1  0.6243  0.3202  0.5483  1.0
  B  B3  1  0.7176  0.7432  0.7381  1.0
  O  O4  1  0.3107  0.3327  0.5040  1.0
  O  O5  1  0.4028  0.1830  0.1510  1.0
  O  O6  1  0.5931  0.6364  0.6056  1.0
  O  O7  1  0.7114  0.0668  0.7210  1.0
  O  O8  1  0.8260  0.5844  0.9154  1.0
  O  O9  1  0.9012  0.2268  0.3646  1.0
]