data_MgZn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZn2Pd
_chemical_formula_sum   'Mg1 Zn2 Pd1'
_cell_volume   63.34
_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
  Zn  Zn2  1  0.65  0.65  0.21  1.0
  Zn  Zn3  1  0.65  0.65  0.57  1.0
  Pd  Pd1  1  0.0  0.0  0.89  1.0

data_MgZn2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgZn2Pd
_chemical_formula_sum   'Mg2 Zn4 Pd2'
_cell_volume   126.68
_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
  Zn  Zn1  2  0.15  0.5  0.21  1.0
  Zn  Zn2  2  0.15  0.5  0.57  1.0
  Pd  Pd3  2  0.0  0.0  0.89  1.0

Mg Zn Zn Pd
MgPdZn2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a single-bond geometry to one Pd(1) and one Zn(1) atom. The Mg(1)-Pd(1) bond length is 0.63 Å. The Mg(1)-Zn(1) bond length is 2.02 Å. Pd(1) is bonded in a single-bond geometry to one Mg(1) and three equivalent Zn(2) atoms. There is one shorter (2.45 Å) and two longer (3.07 Å) Pd(1)-Zn(2) bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted single-bond geometry to one Mg(1) and one Zn(2) atom. The Zn(1)-Zn(2) bond length is 2.09 Å. In the second Zn site, Zn(2) is bonded in a 4-coordinate geometry to three equivalent Pd(1) and one Zn(1) atom.