data_[K8H8F24]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9515]
_cell_length_b [9.5903]
_cell_length_c [7.0016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8751]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KHF3]
_chemical_formula_sum '[K8 H8 F24]'
_cell_volume [592.1595]
_cell_formula_units_Z [8]
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  0.0843  0.2500  1
  K  K1  4  0.0000  0.4124  0.7500  1
  H  H2  8  0.2146  0.1687  0.6960  1
  F  F3  8  0.1087  0.1711  0.6125  1
  F  F4  8  0.1502  0.3286  0.1866  1
  F  F5  8  0.2223  0.4886  0.0472  1
]