data_MgSi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   132.51
_cell_angle_beta   132.51
_cell_angle_gamma   69.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSi2Pd
_chemical_formula_sum   'Mg1 Si2 Pd1'
_cell_volume   61.88
_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
  Si  Si2  1  0.0  0.0  0.01  1.0
  Si  Si3  1  0.0  0.96  0.0  1.0
  Pd  Pd1  1  0.96  0.0  0.0  1.0

data_MgSi2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   124.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgSi2Pd
_chemical_formula_sum   'Mg2 Si4 Pd2'
_cell_volume   123.76
_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
  Si  Si1  2  0.46  0.5  0.96  1.0
  Si  Si2  2  0.5  0.5  0.99  1.0
  Pd  Pd3  2  0.5  0.5  0.96  1.0

Mg Si Si Pd
Mg Si Si Pd 0 1 o o o 0 2 o - o 0 3 - o o 1 2 o - o 1 3 - o o 
MgPdSi2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgPdSi2 cluster. Mg(1) is bonded in a single-bond geometry to one Si(1) atom. The Mg(1)-Si(1) bond length is 0.05 Å. Pd(1) is bonded in a single-bond geometry to one Si(1) and one Si(2) atom. The Pd(1)-Si(1) bond length is 0.16 Å. The Pd(1)-Si(2) bond length is 0.20 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted single-bond geometry to one Mg(1), one Pd(1), and one Si(2) atom. The Si(1)-Si(2) bond length is 0.16 Å. In the second Si site, Si(2) is bonded in a 2-coordinate geometry to one Pd(1) and one Si(1) atom.