data_[H24S4Br4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.6117]
_cell_length_b [7.5782]
_cell_length_c [7.8801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.5218]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [H6SBrN2]
_chemical_formula_sum '[H24 S4 Br4 N8]'
_cell_volume [511.0649]
_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
[
  H  H0  8  0.1223  0.2240  0.1481  1
  H  H1  8  0.1395  0.4425  0.1767  1
  H  H2  8  0.2345  0.8274  0.3180  1
  S  S3  4  0.0000  0.3500  0.7500  1
  Br  Br4  4  0.0000  0.0276  0.2500  1
  N  N5  8  0.1516  0.3354  0.1094  1
]