data_Hf2CoRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CoRu
_chemical_formula_sum   'Hf2 Co1 Ru1'
_cell_volume   65.27
_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  0.6  0.6  0.54  1.0
  Hf  Hf2  1  0.6  0.6  0.8  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.17  1.0

data_Hf2CoRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2CoRu
_chemical_formula_sum   'Hf4 Co2 Ru2'
_cell_volume   130.53
_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  0.1  0.5  0.54  1.0
  Hf  Hf1  2  0.1  0.5  0.8  1.0
  Co  Co2  2  0.0  0.0  0.0  1.0
  Ru  Ru3  2  0.0  0.0  0.17  1.0

Hf Hf Co Ru
Hf2RuCo crystallizes in the monoclinic Cm space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 9-coordinate geometry to one Hf(2), four equivalent Hf(1), and four equivalent Ru(1) atoms. The Hf(1)-Hf(2) bond length is 1.66 Å. All Hf(1)-Hf(1) bond lengths are 3.21 Å. There are a spread of Hf(1)-Ru(1) bond distances ranging from 2.95-3.60 Å. In the second Hf site, Hf(2) is bonded in a 5-coordinate geometry to one Hf(1) and four equivalent Co(1) atoms. There are a spread of Hf(2)-Co(1) bond distances ranging from 2.19-3.01 Å. Ru(1) is bonded in a single-bond geometry to four equivalent Hf(1) and one Co(1) atom. The Ru(1)-Co(1) bond length is 1.09 Å. Co(1) is bonded in a 1-coordinate geometry to four equivalent Hf(2) and one Ru(1) atom.