data_NaCo2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   3.54
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCo2Pb
_chemical_formula_sum   'Na1 Co2 Pb1'
_cell_volume   79.64
_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
  Co  Co0  1  0.77  0.77  0.32  1.0
  Co  Co1  1  0.77  0.77  0.03  1.0
  Pb  Pb3  1  0.0  0.0  0.18  1.0

data_NaCo2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaCo2Pb
_chemical_formula_sum   'Na2 Co4 Pb2'
_cell_volume   159.28
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Co  Co1  2  0.27  0.5  0.03  1.0
  Co  Co2  2  0.27  0.5  0.32  1.0
  Pb  Pb3  2  0.0  0.0  0.18  1.0

Na Co Co Pb
Na Co Co Pb 0 2 - - o 0 3 o o o 1 3 + + o 
NaCo2Pb crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NaCo2Pb clusters. Na(1) is bonded in a 2-coordinate geometry to one Co(2) and one Pb(1) atom. The Na(1)-Co(2) bond length is 1.17 Å. The Na(1)-Pb(1) bond length is 1.12 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a single-bond geometry to one Pb(1) atom. The Co(1)-Pb(1) bond length is 1.46 Å. In the second Co site, Co(2) is bonded in a 2-coordinate geometry to one Na(1) and one Pb(1) atom. The Co(2)-Pb(1) bond length is 1.46 Å. Pb(1) is bonded in a distorted single-bond geometry to one Na(1), one Co(1), and one Co(2) atom.