data_[K4H4Br8]
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
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.5820]
_cell_length_b [6.1200]
_cell_length_c [16.0344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4301]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [KHBr2]
_chemical_formula_sum '[K4 H4 Br8]'
_cell_volume [630.7623]
_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  0.3255  0.2338  0.8751  1.0
  H  H1  4  0.3053  0.0706  0.1272  1.0
  Br  Br2  4  0.1873  0.1497  0.6615  1.0
  Br  Br3  4  0.4536  0.2629  0.0885  1.0
]