data_[K1H2Cl1F8]
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
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8846]
_cell_length_b [5.0624]
_cell_length_c [7.6254]
_cell_angle_alpha [94.8790]
_cell_angle_beta [98.3233]
_cell_angle_gamma [109.3525]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KH2ClF8]
_chemical_formula_sum '[K1 H2 Cl1 F8]'
_cell_volume [174.2357]
_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  0.3087  0.5368  0.3035  1.0
  Cl  Cl2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.2041  0.2163  0.8525  1.0
  F  F4  2  0.2147  0.7823  0.9926  1.0
  F  F5  2  0.2679  0.2296  0.2060  1.0
  F  F6  2  0.3419  0.6837  0.4026  1.0
]