data_[K6Li6]
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 [C2/m]
_cell_length_a [9.0274]
_cell_length_b [4.7349]
_cell_length_c [13.6565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0993]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KLi]
_chemical_formula_sum '[K6 Li6]'
_cell_volume [582.2414]
_cell_formula_units_Z [6]
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  0.1702  0.5000  0.7283  1
  K  K1  2  0.0000  0.0000  0.0000  1
  Li  Li2  4  0.1664  0.5000  0.4550  1
  Li  Li3  2  0.0000  0.0000  0.5000  1
]