data_[Br4N4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [4.5489]
_cell_length_b [7.3751]
_cell_length_c [11.5545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [BrNO3]
_chemical_formula_sum '[Br4 N4 O12]'
_cell_volume [387.6341]
_cell_formula_units_Z [4]
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
[
  Br  Br0  4  0.2498  0.9986  0.7691  1.0
  N  N1  4  0.1967  0.9832  0.5198  1.0
  O  O2  4  0.0687  0.9186  0.4271  1.0
  O  O3  4  0.0695  0.9172  0.6131  1.0
  O  O4  4  0.0982  0.9121  0.0202  1.0
]