data_[K2Li2Be2F8]
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
  Be  1.5700  1.0500  0.5900
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P6_3]
_cell_length_a [5.1140]
_cell_length_b [5.1140]
_cell_length_c [8.6876]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [173]
_chemical_formula_structural [KLiBeF4]
_chemical_formula_sum '[K2 Li2 Be2 F8]'
_cell_volume [196.7642]
_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  0.0026  1.0
  Li  Li1  2  0.3333  0.6667  0.1967  1.0
  Be  Be2  2  0.3333  0.6667  0.8045  1.0
  F  F3  6  0.0411  0.6613  0.7485  1.0
  F  F4  2  0.3333  0.6667  0.9847  1.0
]