data_Hf2TaRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   4.51
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TaRh
_chemical_formula_sum   'Hf2 Ta1 Rh1'
_cell_volume   73.89
_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  0.66  0.26  0.0  1.0
  Hf  Hf1  1  0.0  0.26  0.47  1.0
  Ta  Ta3  1  0.66  0.0  0.47  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0

data_Hf2TaRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.51
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TaRh
_chemical_formula_sum   'Hf2 Ta1 Rh1'
_cell_volume   73.89
_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  0.26  0.47  1.0
  Hf  Hf1  1  0.66  0.26  -0.0  1.0
  Ta  Ta2  1  0.66  0.0  0.47  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

Hf Hf Ta Rh
Hf Hf Ta Rh 0 3 + o o 1 2 - o o 
HfTaHfRh crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfRh cluster and one HfTa cluster. In the HfRh cluster, Hf(1) is bonded in a distorted single-bond geometry to one Rh(1) atom. The Hf(1)-Rh(1) bond length is 1.61 Å. Rh(1) is bonded in a distorted single-bond geometry to one Hf(1) atom. In the HfTa cluster, Hf(2) is bonded in a distorted single-bond geometry to one Ta(1) atom. The Hf(2)-Ta(1) bond length is 1.61 Å. Ta(1) is bonded in a distorted single-bond geometry to one Hf(2) atom.