data_[K2N4Cl2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  N  3.0400  0.6500  0.6300
  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 [13.3582]
_cell_length_b [5.7195]
_cell_length_c [6.2338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3040]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KN2ClF8]
_chemical_formula_sum '[K2 N4 Cl2 F16]'
_cell_volume [423.2132]
_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  0.5000  0.5000  1
  N  N1  4  0.2484  0.5000  0.2452  1
  Cl  Cl2  2  0.0000  0.0000  0.0000  1
  F  F3  8  0.0580  0.2254  0.2336  1
  F  F4  4  0.1408  0.0000  0.7149  1
  F  F5  4  0.1891  0.5000  0.9947  1
]