data_[K2Cl2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6718]
_cell_length_b [4.3757]
_cell_length_c [6.0588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.8091]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KClF4]
_chemical_formula_sum '[K2 Cl2 F8]'
_cell_volume [220.2273]
_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  0.0000  0.0000  0.0000  1
  Cl  Cl1  2  0.0000  0.5000  0.5000  1
  F  F2  4  0.1203  0.5000  0.3437  1
  F  F3  4  0.1792  0.5000  0.8194  1
]