data_HfGa2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGa2Pd
_chemical_formula_sum   'Hf1 Ga2 Pd1'
_cell_volume   66.44
_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  Hf2  1  0.0  0.0  0.47  1.0
  Ga  Ga0  1  0.55  0.55  0.55  1.0
  Ga  Ga1  1  0.55  0.55  0.4  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_HfGa2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfGa2Pd
_chemical_formula_sum   'Hf2 Ga4 Pd2'
_cell_volume   132.87
_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  0.47  1.0
  Ga  Ga1  2  0.05  0.5  0.4  1.0
  Ga  Ga2  2  0.05  0.5  0.55  1.0
  Pd  Pd3  2  0.0  0.0  0.0  1.0

Hf Ga Ga Pd
HfPdGa2 crystallizes in the monoclinic Cm space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 8-coordinate geometry to two equivalent Pd(1), four equivalent Ga(1), and four equivalent Ga(2) atoms. There is one shorter (3.28 Å) and one longer (3.66 Å) Hf(1)-Pd(1) bond length. There are a spread of Hf(1)-Ga(1) bond distances ranging from 2.05-2.44 Å. There are a spread of Hf(1)-Ga(2) bond distances ranging from 2.05-2.44 Å. In the second Hf site, Hf(1) is bonded in a 8-coordinate geometry to two equivalent Pd(1), four equivalent Ga(1), and four equivalent Ga(2) atoms. There is one shorter (3.28 Å) and one longer (3.66 Å) Hf(1)-Pd(1) bond length. There are a spread of Hf(1)-Ga(1) bond distances ranging from 2.05-2.44 Å. There are a spread of Hf(1)-Ga(2) bond distances ranging from 2.05-2.44 Å. Pd(1) is bonded to two equivalent Hf(1) and four equivalent Pd(1) atoms to form a mixture of distorted corner and edge-sharing PdHf2Pd4 octahedra. The corner-sharing octahedra are not tilted. All Pd(1)-Pd(1) bond lengths are 3.09 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted single-bond geometry to four Hf(1,1) and one Ga(2) atom. The Ga(1)-Ga(2) bond length is 1.01 Å. In the second Ga site, Ga(2) is bonded in a distorted single-bond geometry to four Hf(1,1) and one Ga(1) atom.