data_[K8Li8F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.6720]
_cell_length_b [8.3936]
_cell_length_c [5.9834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0700]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KLiF3]
_chemical_formula_sum '[K8 Li8 F24]'
_cell_volume [578.8623]
_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  0.1722  0.2500  1.0
  K  K1  4  0.0000  0.3237  0.7500  1.0
  Li  Li2  8  0.2239  0.0251  0.7146  1.0
  F  F3  8  0.1277  0.0643  0.9487  1.0
  F  F4  8  0.1289  0.4608  0.1017  1.0
  F  F5  8  0.2084  0.3318  0.5313  1.0
]