data_AlPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.45
_cell_length_b   9.59
_cell_length_c   6.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPb3
_chemical_formula_sum   'Al4 Pb12'
_cell_volume   463.21
_cell_formula_units_Z   4
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
  Al  Al0  1  0.64  0.19  0.61  1.0
  Al  Al1  1  0.53  0.4  0.37  1.0
  Al  Al2  1  0.92  0.19  0.12  1.0
  Al  Al3  1  0.81  0.4  0.87  1.0
  Pb  Pb4  1  0.06  0.19  0.64  1.0
  Pb  Pb5  1  0.66  0.4  0.88  1.0
  Pb  Pb6  1  0.79  0.19  0.6  1.0
  Pb  Pb7  1  0.39  0.4  0.84  1.0
  Pb  Pb8  1  0.44  0.12  0.21  1.0
  Pb  Pb9  1  0.28  0.46  0.97  1.0
  Pb  Pb10  1  0.17  0.26  0.52  1.0
  Pb  Pb11  1  0.01  0.33  0.27  1.0
  Pb  Pb12  1  0.01  0.46  0.27  1.0
  Pb  Pb13  1  0.17  0.12  0.52  1.0
  Pb  Pb14  1  0.28  0.33  0.97  1.0
  Pb  Pb15  1  0.44  0.26  0.21  1.0

data_AlPb3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.49
_cell_length_b   7.45
_cell_length_c   9.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AlPb3
_chemical_formula_sum   'Al4 Pb12'
_cell_volume   463.21
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Al  Al0  2  0.13  0.31  0.1  1.0
  Al  Al1  2  0.37  0.42  0.9  1.0
  Pb  Pb2  2  0.03  0.78  0.04  1.0
  Pb  Pb3  2  0.03  0.78  0.17  1.0
  Pb  Pb4  2  0.27  0.94  0.96  1.0
  Pb  Pb5  2  0.27  0.94  0.83  1.0
  Pb  Pb6  2  0.36  0.56  0.9  1.0
  Pb  Pb7  2  0.4  0.84  0.9  1.0

Al Al Al Al Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb
AlPb3 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one AlPb3 cluster. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 2-coordinate geometry to two equivalent Pb(2) atoms. There is one shorter (1.08 Å) and one longer (2.65 Å) Al(1)-Pb(2) bond length. In the second Al site, Al(2) is bonded in a single-bond geometry to one Pb(6) atom. The Al(2)-Pb(6) bond length is 1.81 Å. There are six inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 1-coordinate geometry to one Pb(2) and one Pb(5) atom. The Pb(1)-Pb(2) bond length is 2.07 Å. The Pb(1)-Pb(5) bond length is 1.29 Å. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to two equivalent Al(1) and one Pb(1) atom. In the third Pb site, Pb(3) is bonded in a single-bond geometry to one Pb(6) atom. The Pb(3)-Pb(6) bond length is 1.30 Å. In the fourth Pb site, Pb(4) is bonded in a 1-coordinate geometry to one Pb(5) atom. The Pb(4)-Pb(5) bond length is 1.30 Å. In the fifth Pb site, Pb(5) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(4), and one Pb(6) atom. The Pb(5)-Pb(6) bond length is 2.08 Å. In the sixth Pb site, Pb(6) is bonded in a 1-coordinate geometry to one Al(2), one Pb(3), and one Pb(5) atom.