data_[K2Li16]
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
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [9.8753]
_cell_length_b [9.8753]
_cell_length_c [4.5795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [KLi8]
_chemical_formula_sum '[K2 Li16]'
_cell_volume [446.6028]
_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  1.0
  Li  Li1  8  0.0000  0.3489  0.0000  1.0
  Li  Li2  8  0.1861  0.1861  0.5000  1.0
]