data_HfCoRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   3.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCoRu2
_chemical_formula_sum   'Hf1 Co1 Ru2'
_cell_volume   58.1
_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  0.97  0.97  0.0  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.97  0.0  0.87  1.0
  Ru  Ru3  1  0.0  0.97  0.87  1.0

data_HfCoRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   3.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfCoRu2
_chemical_formula_sum   'Hf2 Co2 Ru4'
_cell_volume   116.2
_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  0.47  0.5  -0.0  1.0
  Co  Co1  2  0.0  0.0  0.0  1.0
  Ru  Ru2  4  0.49  0.49  0.87  1.0

Hf Co Ru Ru
Hf Co Ru Ru 0 1 + + o 2 3 + - o 
HfRu2Co is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two HfRu2Co clusters. Hf(1) is bonded in a single-bond geometry to two equivalent Ru(1) and one Co(1) atom. Both Hf(1)-Ru(1) bond lengths are 0.51 Å. The Hf(1)-Co(1) bond length is 0.16 Å. Ru(1) is bonded in a 3-coordinate geometry to one Hf(1), one Ru(1), and one Co(1) atom. The Ru(1)-Ru(1) bond length is 0.16 Å. The Ru(1)-Co(1) bond length is 0.51 Å. Co(1) is bonded in a single-bond geometry to one Hf(1) and two equivalent Ru(1) atoms.