data_[H12Br4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7153]
_cell_length_b [4.2299]
_cell_length_c [8.2586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6060]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [H6Br2N]
_chemical_formula_sum '[H12 Br4 N2]'
_cell_volume [253.8920]
_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
[
  H  H0  8  0.0408  0.2063  0.1142  1
  H  H1  4  0.1650  0.0000  0.0002  1
  Br  Br2  4  0.0984  0.5000  0.2757  1
  N  N3  2  0.0000  0.0000  0.0000  1
]