data_MgFe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   2.74
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgFe2Pd
_chemical_formula_sum   'Mg1 Fe2 Pd1'
_cell_volume   53.2
_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
  Mg  Mg2  1  0.0  0.0  0.45  1.0
  Fe  Fe0  1  0.0  0.0  0.23  1.0
  Fe  Fe1  1  0.37  0.37  0.5  1.0
  Pd  Pd3  1  0.37  0.37  0.42  1.0

data_MgFe2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgFe2Pd
_chemical_formula_sum   'Mg2 Fe4 Pd2'
_cell_volume   106.41
_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
  Mg  Mg0  2  0.0  0.0  0.45  1.0
  Fe  Fe1  2  0.0  0.0  0.23  1.0
  Fe  Fe2  2  0.37  0.0  0.5  1.0
  Pd  Pd3  2  0.37  0.0  0.42  1.0

Mg Fe Fe Pd
MgFe2Pd crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MgFe2Pd clusters. Mg(1) is bonded in a 2-coordinate geometry to one Fe(1) and one Pd(1) atom. The Mg(1)-Fe(1) bond length is 1.52 Å. The Mg(1)-Pd(1) bond length is 1.45 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted single-bond geometry to one Mg(1) atom. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Pd(1) atom. The Fe(2)-Pd(1) bond length is 0.54 Å. Pd(1) is bonded in a single-bond geometry to one Mg(1) and one Fe(2) atom.