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 [6.4197]
_cell_length_b [13.9043]
_cell_length_c [6.7502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7144]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KH6BrN2]
_chemical_formula_sum '[K4 H24 Br4 N8]'
_cell_volume [559.7761]
_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  0.0389  0.2500  1
  H  H1  8  0.1225  0.2047  0.6432  1
  H  H2  8  0.1794  0.3509  0.4123  1
  H  H3  8  0.2088  0.3689  0.1845  1
  Br  Br4  4  0.0000  0.3802  0.7500  1
  N  N5  8  0.2022  0.1397  0.6547  1
]