data_[B12N12O48]
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 [P6cc]
_cell_length_a [11.3640]
_cell_length_b [11.3640]
_cell_length_c [7.6886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [184]
_chemical_formula_structural [BNO4]
_chemical_formula_sum '[B12 N12 O48]'
_cell_volume [859.8876]
_cell_formula_units_Z [12]
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  12  0.1339  0.4662  0.5297  1
  N  N1  12  0.0929  0.3668  0.0080  1
  O  O2  12  0.0050  0.3770  0.4286  1
  O  O3  12  0.0778  0.2937  0.1314  1
  O  O4  12  0.1498  0.5477  0.6474  1
  O  O5  12  0.2090  0.4472  0.9350  1
]