data_[K2H2Cl2F2]
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 [Cm]
_cell_length_a [7.7131]
_cell_length_b [4.3396]
_cell_length_c [5.6263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1292]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KHClF]
_chemical_formula_sum '[K2 H2 Cl2 F2]'
_cell_volume [180.9082]
_cell_formula_units_Z [2]
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  2  0.2569  0.0000  0.9981  1
  H  H1  2  0.4031  0.5000  0.6043  1
  Cl  Cl2  2  0.4941  0.5000  0.3538  1
  F  F3  2  0.3734  0.5000  0.7719  1
]