data_KNa4Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62
_cell_length_b   6.62
_cell_length_c   6.62
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNa4Pb
_chemical_formula_sum   'K1 Na4 Pb1'
_cell_volume   205.55
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Na  Na1  1  0.85  0.85  0.52  1.0
  Na  Na2  1  0.85  0.52  0.85  1.0
  Na  Na3  1  0.52  0.85  0.85  1.0
  Na  Na4  1  0.52  0.52  0.52  1.0
  Pb  Pb5  1  0.03  0.03  0.03  1.0

data_KNa4Pb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.62
_cell_length_b   6.62
_cell_length_c   16.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KNa4Pb
_chemical_formula_sum   'K3 Na12 Pb3'
_cell_volume   616.64
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Na  Na1  9  0.22  0.11  0.26  1.0
  Na  Na2  3  0.0  0.0  0.48  1.0
  Pb  Pb3  3  0.0  0.0  0.97  1.0

K Na Na Na Na Pb
K Na Na Na Na Pb 0 5 o o o 0 4 o - - 0 4 - o - 0 4 - - o 1 2 o o o 1 3 o o o 1 4 + o o 1 4 o + o 1 4 o o o 2 3 o o o 2 4 + o o 2 4 o o + 2 4 o o o 3 4 o + o 3 4 o o + 3 4 o o o 
KNa4Pb crystallizes in the trigonal R3m space group. K(1) is bonded in a single-bond geometry to one Pb(1) atom. The K(1)-Pb(1) bond length is 0.42 Å. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 3-coordinate geometry to two equivalent Na(1), three equivalent Na(2), and one Pb(1) atom. Both Na(1)-Na(1) bond lengths are 2.15 Å. There is one shorter (3.72 Å) and two longer (3.88 Å) Na(1)-Na(2) bond lengths. The Na(1)-Pb(1) bond length is 2.69 Å. In the second Na site, Na(2) is bonded in a 9-coordinate geometry to nine equivalent Na(1) atoms. Pb(1) is bonded in a single-bond geometry to one K(1) and three equivalent Na(1) atoms.