data_AlPd2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   3.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPd2Cl
_chemical_formula_sum   'Al1 Pd2 Cl1'
_cell_volume   64.66
_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  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.54  0.36  0.6  1.0
  Pd  Pd3  1  0.54  0.64  0.6  1.0
  Cl  Cl1  1  0.09  0.0  0.0  1.0

data_AlPd2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   93.28
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPd2Cl
_chemical_formula_sum   'Al1 Pd2 Cl1'
_cell_volume   64.66
_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  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.6  0.54  0.36  1.0
  Pd  Pd2  1  0.6  0.54  0.64  1.0
  Cl  Cl3  1  0.0  0.09  0.0  1.0

Al Pd Pd Cl
Al Pd Pd Cl 0 3 o o o 1 2 o o o 
Pd2AlCl crystallizes in the triclinic P1 space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 3-coordinate geometry to one Pd(2), one Al(1), and one Cl(1) atom. The Pd(1)-Pd(2) bond length is 1.22 Å. The Pd(1)-Al(1) bond length is 2.98 Å. The Pd(1)-Cl(1) bond length is 2.85 Å. In the second Pd site, Pd(2) is bonded in a 4-coordinate geometry to one Pd(1), two equivalent Al(1), and one Cl(1) atom. There is one shorter (2.85 Å) and one longer (3.19 Å) Pd(2)-Al(1) bond length. The Pd(2)-Cl(1) bond length is 2.98 Å. Al(1) is bonded in a single-bond geometry to one Pd(1), two equivalent Pd(2), and one Cl(1) atom. The Al(1)-Cl(1) bond length is 0.40 Å. Cl(1) is bonded in a single-bond geometry to one Pd(1), one Pd(2), and one Al(1) atom.