data_Mg2GePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2GePd
_chemical_formula_sum   'Mg2 Ge1 Pd1'
_cell_volume   70.7
_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  Mg1  1  0.56  0.56  0.96  1.0
  Mg  Mg2  1  0.56  0.56  0.28  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.62  1.0

data_Mg2GePd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2GePd
_chemical_formula_sum   'Mg4 Ge2 Pd2'
_cell_volume   141.4
_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  0.06  0.5  0.28  1.0
  Mg  Mg1  2  0.06  0.5  0.96  1.0
  Ge  Ge2  2  0.0  0.0  0.0  1.0
  Pd  Pd3  2  0.0  0.0  0.62  1.0

Mg Mg Ge Pd
Mg2PdGe crystallizes in the monoclinic Cm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 4-coordinate geometry to one Mg(2), four equivalent Pd(1), and four equivalent Ge(1) atoms. The Mg(1)-Mg(2) bond length is 2.33 Å. There are a spread of Mg(1)-Pd(1) bond distances ranging from 3.13-3.49 Å. There are a spread of Mg(1)-Ge(1) bond distances ranging from 1.96-2.50 Å. In the second Mg site, Mg(2) is bonded in a 13-coordinate geometry to one Mg(1), four equivalent Mg(2), four equivalent Pd(1), and four equivalent Ge(1) atoms. All Mg(2)-Mg(2) bond lengths are 3.12 Å. There are a spread of Mg(2)-Pd(1) bond distances ranging from 3.13-3.49 Å. There are a spread of Mg(2)-Ge(1) bond distances ranging from 2.82-3.22 Å. Pd(1) is bonded in a 13-coordinate geometry to four equivalent Mg(1), four equivalent Mg(2), four equivalent Pd(1), and one Ge(1) atom. All Pd(1)-Pd(1) bond lengths are 3.12 Å. The Pd(1)-Ge(1) bond length is 2.74 Å. Ge(1) is bonded in a 4-coordinate geometry to four equivalent Mg(1), four equivalent Mg(2), and one Pd(1) atom.