data_Mn2AlPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61
_cell_length_b   8.61
_cell_length_c   8.61
_cell_angle_alpha   17.65
_cell_angle_beta   17.65
_cell_angle_gamma   17.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2AlPd
_chemical_formula_sum   'Mn2 Al1 Pd1'
_cell_volume   51.18
_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
  Mn  Mn1  1  0.0  0.0  0.02  1.0
  Mn  Mn2  1  0.0  0.0  0.4  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.71  1.0

data_Mn2AlPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.57
_cell_length_b   2.64
_cell_length_c   8.61
_cell_angle_alpha   90.0
_cell_angle_beta   100.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2AlPd
_chemical_formula_sum   'Mn4 Al2 Pd2'
_cell_volume   102.37
_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
  Mn  Mn0  2  0.0  0.0  0.6  1.0
  Mn  Mn1  2  0.0  0.0  0.98  1.0
  Al  Al2  2  0.0  0.0  0.0  1.0
  Pd  Pd3  2  -0.0  0.0  0.29  1.0

Mn Mn Al Pd
Mn Mn Al Pd 0 2 o o o 0 3 o o - 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o o 2 3 o o - 3 3 o + - 3 3 + - o 3 3 + o - 
Mn2PdAl crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Mn2PdAl clusters. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a single-bond geometry to one Al(1) atom. The Mn(1)-Al(1) bond length is 0.14 Å. In the second Mn site, Mn(2) is bonded in a distorted single-bond geometry to one Pd(1) atom. The Mn(2)-Pd(1) bond length is 2.65 Å. Pd(1) is bonded in a distorted linear geometry to one Mn(2) and one Al(1) atom. The Pd(1)-Al(1) bond length is 2.51 Å. Al(1) is bonded in a single-bond geometry to one Mn(1) and one Pd(1) atom.