data_AlFePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   6.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFePd2
_chemical_formula_sum   'Al1 Fe1 Pd2'
_cell_volume   56.81
_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
  Fe  Fe1  1  0.0  0.0  0.49  1.0
  Pd  Pd2  1  0.43  0.43  0.32  1.0
  Pd  Pd3  1  0.43  0.43  0.66  1.0

data_AlFePd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   6.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlFePd2
_chemical_formula_sum   'Al2 Fe2 Pd4'
_cell_volume   113.61
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Fe  Fe1  2  0.0  0.0  0.49  1.0
  Pd  Pd2  2  0.43  0.0  0.32  1.0
  Pd  Pd3  2  0.43  0.0  0.66  1.0

Al Fe Pd Pd
Al Fe Pd Pd 0 3 - - - 0 3 - o - 0 3 o - - 0 3 o o - 0 2 - - o 0 2 - o o 0 2 o - o 0 2 o o o 0 0 + o o 0 0 o + o 0 1 o o o 1 2 - - o 1 2 - o o 1 2 o - o 1 2 o o o 1 3 - - o 1 3 - o o 1 3 o - o 1 3 o o o 2 3 o o o 
FePd2Al crystallizes in the monoclinic Cm space group. Fe(1) is bonded in a 8-coordinate geometry to four equivalent Pd(1) and four equivalent Pd(2) atoms. There are a spread of Fe(1)-Pd(1) bond distances ranging from 2.08-2.60 Å. There are a spread of Fe(1)-Pd(2) bond distances ranging from 2.08-2.60 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 3-coordinate geometry to four equivalent Fe(1) and four equivalent Al(1) atoms. There are a spread of Pd(1)-Al(1) bond distances ranging from 2.84-3.24 Å. In the second Pd site, Pd(2) is bonded in a 3-coordinate geometry to four equivalent Fe(1) and four equivalent Al(1) atoms. There are a spread of Pd(2)-Al(1) bond distances ranging from 2.93-3.31 Å. Al(1) is bonded in a 12-coordinate geometry to four equivalent Pd(1), four equivalent Pd(2), and four equivalent Al(1) atoms. All Al(1)-Al(1) bond lengths are 2.85 Å.