data_HfOsPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   130.84
_cell_angle_beta   130.84
_cell_angle_gamma   72.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfOsPd2
_chemical_formula_sum   'Hf1 Os1 Pd2'
_cell_volume   64.68
_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  0.94  1.0
  Os  Os1  1  0.0  0.03  0.97  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.03  0.0  0.97  1.0

data_HfOsPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   4.87
_cell_angle_alpha   114.58
_cell_angle_beta   114.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfOsPd2
_chemical_formula_sum   'Hf1 Os1 Pd2'
_cell_volume   64.68
_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  0.06  0.0  0.06  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.03  0.0  0.06  1.0
  Os  Os3  1  0.06  0.03  0.06  1.0

Hf Os Pd Pd
Hf Os Pd Pd 0 1 o o o 0 3 o o o 0 2 o o + 1 2 o o + 2 3 o o - 
HfOsPd2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfOsPd2 cluster. Hf(1) is bonded in an L-shaped geometry to one Os(1) and one Pd(2) atom. The Hf(1)-Os(1) bond length is 0.12 Å. The Hf(1)-Pd(2) bond length is 0.12 Å. Os(1) is bonded in a single-bond geometry to one Hf(1) and one Pd(1) atom. The Os(1)-Pd(1) bond length is 0.25 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 2-coordinate geometry to one Os(1) and one Pd(2) atom. The Pd(1)-Pd(2) bond length is 0.25 Å. In the second Pd site, Pd(2) is bonded in a single-bond geometry to one Hf(1) and one Pd(1) atom.