data_Al2PbBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   9.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2PbBr
_chemical_formula_sum   'Al2 Pb1 Br1'
_cell_volume   98.46
_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
  Al  Al0  1  0.75  0.0  0.45  1.0
  Al  Al1  1  0.75  0.0  0.23  1.0
  Pb  Pb3  1  0.0  0.0  0.84  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0

data_Al2PbBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   9.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2PbBr
_chemical_formula_sum   'Al2 Pb1 Br1'
_cell_volume   98.46
_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
  Al  Al0  1  0.75  0.0  0.23  1.0
  Al  Al1  1  0.75  0.0  0.45  1.0
  Pb  Pb2  1  0.0  0.0  0.84  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Al Al Pb Br
Al Al Pb Br 0 1 o o o 1 3 + o o 2 3 o o + 
Al2PbBr is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Al2PbBr cluster. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a single-bond geometry to one Al(2) atom. The Al(1)-Al(2) bond length is 2.16 Å. In the second Al site, Al(2) is bonded in a distorted single-bond geometry to one Al(1) and one Br(1) atom. The Al(2)-Br(1) bond length is 2.36 Å. Pb(1) is bonded in a single-bond geometry to one Br(1) atom. The Pb(1)-Br(1) bond length is 1.55 Å. Br(1) is bonded in a bent 150 degrees geometry to one Al(2) and one Pb(1) atom.