data_Mg3Pd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.75
_cell_length_b   10.75
_cell_length_c   10.75
_cell_angle_alpha   16.79
_cell_angle_beta   16.79
_cell_angle_gamma   16.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Pd2
_chemical_formula_sum   'Mg3 Pd2'
_cell_volume   90.35
_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  Mg0  1  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.0  0.0  0.61  1.0
  Mg  Mg2  1  0.0  0.0  0.17  1.0
  Pd  Pd3  1  0.0  0.0  0.6  1.0
  Pd  Pd4  1  0.0  0.0  0.18  1.0

data_Mg3Pd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.44
_cell_length_b   3.14
_cell_length_c   10.75
_cell_angle_alpha   90.0
_cell_angle_beta   99.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg3Pd2
_chemical_formula_sum   'Mg6 Pd4'
_cell_volume   180.71
_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  0.0  1.0
  Mg  Mg1  2  0.0  0.0  0.39  1.0
  Mg  Mg2  2  0.0  0.0  0.83  1.0
  Pd  Pd3  2  0.0  0.0  0.4  1.0
  Pd  Pd4  2  0.0  0.0  0.82  1.0

Mg Mg Mg Pd Pd
Mg Mg Mg Pd Pd 0 4 o o o 0 2 o o o 1 3 o o o 2 4 o o o 
Mg2PdMgPd is alpha carbon monoxide-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two magnesium--palladium (1/1) molecules and two Mg2Pd clusters. In each Mg2Pd cluster, there are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a single-bond geometry to one Mg(3) atom. The Mg(1)-Mg(3) bond length is 1.79 Å. In the second Mg site, Mg(3) is bonded in a single-bond geometry to one Mg(1) and one Pd(2) atom. The Mg(3)-Pd(2) bond length is 0.10 Å. Pd(2) is bonded in a single-bond geometry to one Mg(3) atom.