data_Mg3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   5.88
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Pd
_chemical_formula_sum   'Mg6 Pd2'
_cell_volume   147.56
_cell_formula_units_Z   2
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  0.33  1.0
  Mg  Mg1  1  0.38  0.46  0.39  1.0
  Mg  Mg2  1  0.0  0.48  0.87  1.0
  Mg  Mg3  1  0.38  0.94  0.93  1.0
  Mg  Mg4  1  0.38  0.42  0.39  1.0
  Mg  Mg5  1  0.0  0.41  0.87  1.0
  Pd  Pd6  1  0.38  0.0  0.73  1.0
  Pd  Pd7  1  0.0  0.94  0.54  1.0

data_Mg3Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.77
_cell_length_b   5.26
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Pd
_chemical_formula_sum   'Mg6 Pd2'
_cell_volume   147.56
_cell_formula_units_Z   2
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  0.13  0.59  1.0
  Mg  Mg1  1  -0.0  0.13  0.52  1.0
  Mg  Mg2  1  0.0  0.67  0.0  1.0
  Mg  Mg3  1  0.62  0.07  0.06  1.0
  Mg  Mg4  1  0.62  0.61  0.54  1.0
  Mg  Mg5  1  0.62  0.61  0.58  1.0
  Pd  Pd6  1  -0.0  0.46  0.06  1.0
  Pd  Pd7  1  0.62  0.27  0.0  1.0

Mg Mg Mg Mg Mg Mg Pd Pd
Mg3Pd is beta Np structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two magnesium-palladium molecules and two Mg clusters. In each Mg cluster, there are two inequivalent Mg sites. In the first Mg site, Mg(2) is bonded in a single-bond geometry to one Mg(5) atom. The Mg(2)-Mg(5) bond length is 0.24 Å. In the second Mg site, Mg(5) is bonded in a distorted single-bond geometry to one Mg(2) atom.