data_MgGePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   4.52
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGePd2
_chemical_formula_sum   'Mg1 Ge1 Pd2'
_cell_volume   65.2
_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  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.79  0.79  0.79  1.0
  Pd  Pd2  1  0.6  0.6  0.6  1.0
  Pd  Pd3  1  0.19  0.19  0.19  1.0

data_MgGePd2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   11.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MgGePd2
_chemical_formula_sum   'Mg3 Ge3 Pd6'
_cell_volume   195.6
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Ge  Ge1  3  0.0  0.0  0.21  1.0
  Pd  Pd2  3  0.0  0.0  0.4  1.0
  Pd  Pd3  3  0.0  0.0  0.81  1.0

Mg Ge Pd Pd
Mg Ge Pd Pd 0 1 - - - 0 2 - - o 0 2 - o - 0 2 o - - 0 3 o o o 0 3 o o - 0 3 - o o 0 3 o - o 1 2 o o o 1 2 o + o 1 2 + o o 1 2 o o + 1 3 o + + 1 3 + o + 1 3 + + o 2 3 o o + 2 3 o + o 2 3 + o o 
MgPd2Ge crystallizes in the trigonal R3m space group. Mg(1) is bonded in a 2-coordinate geometry to one Pd(2), three equivalent Pd(1), and one Ge(1) atom. The Mg(1)-Pd(2) bond length is 2.15 Å. All Mg(1)-Pd(1) bond lengths are 2.72 Å. The Mg(1)-Ge(1) bond length is 2.30 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 4-coordinate geometry to three equivalent Mg(1) and one Ge(1) atom. The Pd(1)-Ge(1) bond length is 2.15 Å. In the second Pd site, Pd(2) is bonded in a distorted single-bond geometry to one Mg(1) atom. Ge(1) is bonded in a distorted linear geometry to one Mg(1) and one Pd(1) atom.