data_[B3N1O1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.4563]
_cell_length_b [2.5547]
_cell_length_c [5.3219]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [B3NO]
_chemical_formula_sum '[B3 N1 O1]'
_cell_volume [33.3956]
_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
[
  B  B0  1  0.0000  0.0000  0.9135  1
  B  B1  1  0.5000  0.0000  0.3533  1
  B  B2  1  0.5000  0.5000  0.5719  1
  N  N3  1  0.0000  0.5000  0.7498  1
  O  O4  1  0.5000  0.0000  0.0783  1
]