data_[K1H2Br1F8]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9851]
_cell_length_b [5.0126]
_cell_length_c [7.7089]
_cell_angle_alpha [91.9342]
_cell_angle_beta [97.5295]
_cell_angle_gamma [109.8277]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KH2BrF8]
_chemical_formula_sum '[K1 H2 Br1 F8]'
_cell_volume [179.0165]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  H  H1  2  0.3111  0.5575  0.3032  1.0
  Br  Br2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.2082  0.2236  0.8349  1.0
  F  F4  2  0.2312  0.7756  0.0070  1.0
  F  F5  2  0.2564  0.2454  0.2011  1.0
  F  F6  2  0.3365  0.6857  0.4060  1.0
]