data_[K24Pb16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [13.0940]
_cell_length_b [27.9385]
_cell_length_c [4.9802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [K3Pb2]
_chemical_formula_sum '[K24 Pb16]'
_cell_volume [1821.8665]
_cell_formula_units_Z [8]
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  16  0.1204  0.1506  0.7526  1.0
  K  K1  8  0.0000  0.0000  0.0065  1.0
  Pb  Pb2  16  0.0393  0.2795  0.7442  1.0
]