data_[K12Na12Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.7730]
_cell_length_b [13.2531]
_cell_length_c [17.9200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [K3Na3Pb2]
_chemical_formula_sum '[K12 Na12 Pb8]'
_cell_volume [1371.0737]
_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  0.0839  0.6021  1.0
  K  K1  4  0.0000  0.3593  0.7500  1.0
  Na  Na2  8  0.0000  0.3546  0.5355  1.0
  Na  Na3  4  0.0000  0.3426  0.2500  1.0
  Pb  Pb4  8  0.0000  0.2046  0.1079  1.0
]