data_NaBi2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBi2Pb
_chemical_formula_sum   'Na1 Bi2 Pb1'
_cell_volume   122.44
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.51  0.0  0.44  1.0
  Bi  Bi1  1  0.0  0.51  0.44  1.0
  Pb  Pb3  1  0.51  0.51  0.0  1.0

data_NaBi2Pb
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   NaBi2Pb
_chemical_formula_sum   'Na1 Bi2 Pb1'
_cell_volume   122.44
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  2  0.0  0.5  0.44  1.0
  Pb  Pb2  1  0.5  0.5  0.0  1.0

Na Bi Bi Pb
Na Bi Bi Pb 0 3 - - o 0 3 - o o 0 3 o - o 0 3 o o o 0 1 - o - 0 1 - o o 0 1 o o - 0 1 o o o 0 2 o - - 0 2 o - o 0 2 o o - 0 2 o o o 1 2 o - o 1 2 o o o 1 2 + - o 1 2 + o o 1 3 o - o 1 3 o - + 1 3 o o o 1 3 o o + 2 3 - o o 2 3 - o + 2 3 o o o 2 3 o o + 
NaPbBi2 crystallizes in the monoclinic Cm space group. Na(1) is bonded to four equivalent Pb(1) and eight equivalent Bi(1) atoms to form a mixture of corner and face-sharing NaBi8Pb4 cuboctahedra. There are a spread of Na(1)-Pb(1) bond distances ranging from 3.50-3.60 Å. There are a spread of Na(1)-Bi(1) bond distances ranging from 3.26-3.75 Å. Pb(1) is bonded in a 8-coordinate geometry to four equivalent Na(1) and four equivalent Bi(1) atoms. There are two shorter (3.26 Å) and two longer (3.31 Å) Pb(1)-Bi(1) bond lengths. Bi(1) is bonded in a 6-coordinate geometry to four equivalent Na(1) and two equivalent Pb(1) atoms.