data_HfSbRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   136.77
_cell_angle_beta   136.77
_cell_angle_gamma   62.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSbRu2
_chemical_formula_sum   'Hf1 Sb1 Ru2'
_cell_volume   68.07
_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  0.94  0.0  0.25  1.0
  Sb  Sb3  1  0.0  0.0  0.5  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.94  0.25  1.0

data_HfSbRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   5.28
_cell_angle_alpha   111.62
_cell_angle_beta   111.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSbRu2
_chemical_formula_sum   'Hf1 Sb1 Ru2'
_cell_volume   68.07
_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  0.25  0.31  0.31  1.0
  Sb  Sb1  1  0.5  0.5  0.5  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.31  0.25  0.31  1.0

Hf Sb Ru Ru
Hf Sb Ru Ru 0 3 + - o 0 1 + o o 0 2 + o o 1 3 o - o 2 3 o - o 
HfRu2Sb crystallizes in the triclinic P1 space group. Hf(1) is bonded in a single-bond geometry to one Ru(1), one Ru(2), and two equivalent Sb(1) atoms. The Hf(1)-Ru(1) bond length is 1.56 Å. The Hf(1)-Ru(2) bond length is 0.31 Å. There is one shorter (1.13 Å) and one longer (3.43 Å) Hf(1)-Sb(1) bond length. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 1-coordinate geometry to one Hf(1) and one Sb(1) atom. The Ru(1)-Sb(1) bond length is 2.62 Å. In the second Ru site, Ru(2) is bonded in a single-bond geometry to one Hf(1) and two equivalent Sb(1) atoms. There is one shorter (1.13 Å) and one longer (3.43 Å) Ru(2)-Sb(1) bond length. Sb(1) is bonded in a 5-coordinate geometry to two equivalent Hf(1), one Ru(1), and two equivalent Ru(2) atoms.