data_[K6Li2F8]
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 [Pmn2_1]
_cell_length_a [8.3679]
_cell_length_b [7.0760]
_cell_length_c [5.4726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [K3LiF4]
_chemical_formula_sum '[K6 Li2 F8]'
_cell_volume [324.0403]
_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  4  0.2391  0.6729  0.0512  1.0
  K  K1  2  0.0000  0.8633  0.5507  1.0
  Li  Li2  2  0.0000  0.1802  0.9977  1.0
  F  F3  4  0.2104  0.3041  0.0716  1.0
  F  F4  2  0.0000  0.2003  0.6575  1.0
  F  F5  2  0.0000  0.9067  0.0637  1.0
]