data_MgZn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   135.34
_cell_angle_beta   133.78
_cell_angle_gamma   66.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZn2Pd
_chemical_formula_sum   'Mg1 Zn2 Pd1'
_cell_volume   61.41
_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  0.89  0.0  0.11  1.0
  Zn  Zn3  1  0.0  0.95  0.06  1.0
  Pd  Pd1  1  0.0  0.0  0.16  1.0

data_MgZn2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   3.9
_cell_length_c   4.97
_cell_angle_alpha   113.11
_cell_angle_beta   112.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZn2Pd
_chemical_formula_sum   'Mg1 Zn2 Pd1'
_cell_volume   61.41
_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  Zn1  1  0.78  0.89  0.78  1.0
  Zn  Zn2  1  0.94  0.89  0.89  1.0
  Pd  Pd3  1  0.84  0.84  0.84  1.0

Mg Zn Zn Pd
Mg Zn Zn Pd 0 2 o - o 1 3 + o o 2 3 o + o 
MgPdZn2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgPdZn2 cluster. Mg(1) is bonded in a single-bond geometry to one Zn(2) atom. The Mg(1)-Zn(2) bond length is 0.49 Å. Pd(1) is bonded in a water-like geometry to one Zn(1) and one Zn(2) atom. The Pd(1)-Zn(1) bond length is 0.41 Å. The Pd(1)-Zn(2) bond length is 0.40 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a single-bond geometry to one Pd(1) atom. In the second Zn site, Zn(2) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Pd(1) atom.