data_Ba2SiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   8.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SiPd
_chemical_formula_sum   'Ba2 Si1 Pd1'
_cell_volume   128.73
_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
  Ba  Ba0  1  0.74  0.0  0.15  1.0
  Ba  Ba1  1  0.74  0.0  0.34  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.0  0.25  1.0

data_Ba2SiPd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   8.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ba2SiPd
_chemical_formula_sum   'Ba2 Si1 Pd1'
_cell_volume   128.74
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ba  Ba0  1  0.74  0.0  0.15  1.0
  Ba  Ba1  1  0.74  0.0  0.34  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.25  1.0

Ba Ba Si Pd
Ba2PdSi crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one Ba2PdSi cluster. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted L-shaped geometry to one Pd(1) and one Si(1) atom. The Ba(1)-Pd(1) bond length is 1.32 Å. The Ba(1)-Si(1) bond length is 1.63 Å. In the second Ba site, Ba(2) is bonded in a single-bond geometry to one Pd(1) atom. The Ba(2)-Pd(1) bond length is 1.32 Å. Pd(1) is bonded in a 2-coordinate geometry to one Ba(1) and one Ba(2) atom. Si(1) is bonded in a single-bond geometry to one Ba(1) atom.