data_Al2MoPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   147.86
_cell_angle_beta   123.86
_cell_angle_gamma   66.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2MoPd
_chemical_formula_sum   'Al2 Mo1 Pd1'
_cell_volume   61.77
_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  0.44  0.0  0.29  1.0
  Al  Al1  1  0.0  0.45  0.07  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.37  1.0

data_Al2MoPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.9
_cell_length_c   5.21
_cell_angle_alpha   118.07
_cell_angle_beta   106.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2MoPd
_chemical_formula_sum   'Al2 Mo1 Pd1'
_cell_volume   61.77
_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  0.29  0.85  1.0
  Al  Al1  1  0.55  0.62  0.62  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.37  0.37  1.0

Al Al Mo Pd
MoPdAl2 crystallizes in the triclinic P1 space group. Mo(1) is bonded in a 2-coordinate geometry to one Pd(1), one Al(1), and one Al(2) atom. The Mo(1)-Pd(1) bond length is 1.90 Å. The Mo(1)-Al(1) bond length is 1.93 Å. The Mo(1)-Al(2) bond length is 2.04 Å. Pd(1) is bonded in a 5-coordinate geometry to one Mo(1), two equivalent Al(1), and two equivalent Al(2) atoms. There is one shorter (2.54 Å) and one longer (2.71 Å) Pd(1)-Al(1) bond length. There is one shorter (1.77 Å) and one longer (2.11 Å) Pd(1)-Al(2) bond length. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted single-bond geometry to one Mo(1) and two equivalent Pd(1) atoms. In the second Al site, Al(2) is bonded in a 3-coordinate geometry to one Mo(1) and two equivalent Pd(1) atoms.