data_HfSi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSi2Pd
_chemical_formula_sum   'Hf1 Si2 Pd1'
_cell_volume   64.69
_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
  Hf  Hf0  1  0.0  0.0  0.34  1.0
  Si  Si2  1  0.98  0.0  0.51  1.0
  Si  Si3  1  0.98  0.0  0.18  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0

data_HfSi2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.89
_cell_length_b   3.95
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfSi2Pd
_chemical_formula_sum   'Hf2 Si4 Pd2'
_cell_volume   129.38
_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
  Hf  Hf0  2  0.0  0.0  0.34  1.0
  Si  Si1  2  0.49  0.5  0.18  1.0
  Si  Si2  2  0.49  0.5  0.51  1.0
  Pd  Pd3  2  0.0  0.0  0.0  1.0

Hf Si Si Pd
HfPdSi2 is Cyanogen Chloride-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfPdSi2 cluster. Hf(1) is bonded in a linear geometry to one Si(1) and one Si(2) atom. The Hf(1)-Si(1) bond length is 1.10 Å. The Hf(1)-Si(2) bond length is 1.10 Å. Pd(1) is bonded in a single-bond geometry to one Si(2) atom. The Pd(1)-Si(2) bond length is 1.21 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a single-bond geometry to one Hf(1) atom. In the second Si site, Si(2) is bonded in a linear geometry to one Hf(1) and one Pd(1) atom.