data_[K12Li4Pb16]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.3267]
_cell_length_b [16.3533]
_cell_length_c [10.3584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [K3LiPb4]
_chemical_formula_sum '[K12 Li4 Pb16]'
_cell_volume [1241.1037]
_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  8  0.0000  0.3897  0.5476  1.0
  K  K1  4  0.0000  0.2313  0.2500  1.0
  Li  Li2  4  0.0000  0.0000  0.0000  1.0
  Pb  Pb3  8  0.0000  0.1753  0.5996  1.0
  Pb  Pb4  8  0.2163  0.0392  0.7500  1.0
]