data_Hf2BiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09
_cell_length_b   4.28
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2BiRu
_chemical_formula_sum   'Hf2 Bi1 Ru1'
_cell_volume   80.61
_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  Hf1  1  0.05  0.14  0.0  1.0
  Hf  Hf2  1  0.05  0.0  0.3  1.0
  Bi  Bi0  1  0.0  0.14  0.3  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_Hf2BiRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.28
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2BiRu
_chemical_formula_sum   'Hf2 Bi1 Ru1'
_cell_volume   80.61
_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  0.05  0.0  0.3  1.0
  Hf  Hf1  1  0.05  0.14  0.0  1.0
  Bi  Bi2  1  0.0  0.14  0.3  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Hf Hf Bi Ru
Hf Hf Bi Ru 0 3 o o o 1 2 o o o 
HfRuHfBi crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfBi cluster and one HfRu cluster. In the HfBi cluster, Hf(2) is bonded in a distorted single-bond geometry to one Bi(1) atom. The Hf(2)-Bi(1) bond length is 0.63 Å. Bi(1) is bonded in a distorted single-bond geometry to one Hf(2) atom. In the HfRu cluster, Hf(1) is bonded in a single-bond geometry to one Ru(1) atom. The Hf(1)-Ru(1) bond length is 0.63 Å. Ru(1) is bonded in a distorted single-bond geometry to one Hf(1) atom.