data_NaAlCoPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAlCoPb
_chemical_formula_sum   'Na1 Al1 Co1 Pb1'
_cell_volume   71.37
_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
  Al  Al0  1  0.65  0.65  0.65  1.0
  Co  Co1  1  0.29  0.29  0.29  1.0
  Pb  Pb3  1  0.94  0.94  0.94  1.0

data_NaAlCoPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   11.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaAlCoPb
_chemical_formula_sum   'Na3 Al3 Co3 Pb3'
_cell_volume   214.1
_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
  Na  Na0  3  0.0  0.0  0.0  1.0
  Al  Al1  3  0.0  0.0  0.35  1.0
  Co  Co2  3  0.0  0.0  0.71  1.0
  Pb  Pb3  3  0.0  0.0  0.06  1.0

Na Al Co Pb
Na Al Co Pb 0 3 - - - 0 1 o - - 0 1 - o - 0 1 - - o 0 2 o o - 0 2 o - o 0 2 - o o 1 2 o o + 1 2 o + o 1 2 + o o 1 3 - o o 1 3 o - o 1 3 o o - 2 3 - - o 2 3 - o - 2 3 o - - 
NaCoAlPb crystallizes in the trigonal R3m space group. Na(1) is bonded in a single-bond geometry to four equivalent Co(1), three equivalent Al(1), and one Pb(1) atom. There are three shorter (2.73 Å) and one longer (3.33 Å) Na(1)-Co(1) bond length. All Na(1)-Al(1) bond lengths are 2.70 Å. The Na(1)-Pb(1) bond length is 0.70 Å. Co(1) is bonded in a distorted q6 geometry to four equivalent Na(1), three equivalent Al(1), and three equivalent Pb(1) atoms. All Co(1)-Al(1) bond lengths are 2.70 Å. All Co(1)-Pb(1) bond lengths are 2.70 Å. Al(1) is bonded in a distorted q6 geometry to three equivalent Na(1), three equivalent Co(1), and four equivalent Pb(1) atoms. There are three shorter (2.73 Å) and one longer (3.33 Å) Al(1)-Pb(1) bond length. Pb(1) is bonded in a single-bond geometry to one Na(1), three equivalent Co(1), and four equivalent Al(1) atoms.