data_[K4H24Br4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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/c]
_cell_length_a [6.4234]
_cell_length_b [13.9180]
_cell_length_c [6.7536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6832]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KH6BrN2]
_chemical_formula_sum '[K4 H24 Br4 N8]'
_cell_volume [561.0616]
_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
[
  K  K0  4  0.0000  0.0388  0.2500  1.0
  H  H1  8  0.1226  0.2047  0.6432  1.0
  H  H2  8  0.1795  0.3509  0.4123  1.0
  H  H3  8  0.2089  0.3689  0.1847  1.0
  Br  Br4  4  0.0000  0.3801  0.7500  1.0
  N  N5  8  0.2023  0.1397  0.6547  1.0
]