data_[K4Li12O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9648]
_cell_length_b [3.3380]
_cell_length_c [7.8010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8459]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KLi3O2]
_chemical_formula_sum '[K4 Li12 O8]'
_cell_volume [282.7248]
_cell_formula_units_Z [4]
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  0.1318  0.0000  0.0749  1.0
  Li  Li1  4  0.0187  0.0000  0.3499  1.0
  Li  Li2  4  0.1184  0.5000  0.6693  1.0
  Li  Li3  4  0.1730  0.5000  0.4261  1.0
  O  O4  4  0.0009  0.5000  0.2303  1.0
  O  O5  4  0.1687  0.0000  0.5951  1.0
]