data_HfCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCo3
_chemical_formula_sum   'Hf1 Co3'
_cell_volume   53.12
_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  Hf3  1  0.0  0.0  0.76  1.0
  Co  Co0  1  0.55  0.55  0.22  1.0
  Co  Co1  1  0.55  0.55  0.29  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0

data_HfCo3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfCo3
_chemical_formula_sum   'Hf2 Co6'
_cell_volume   106.25
_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  0.0  0.0  0.76  1.0
  Co  Co1  2  0.0  0.0  0.0  1.0
  Co  Co2  2  0.05  0.5  0.22  1.0
  Co  Co3  2  0.05  0.5  0.29  1.0

Hf Co Co Co
Hf Co Co Co 0 3 o o + 1 2 o o o 
HfCo(Co)2 is alpha carbon monoxide-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two cobalt molecules and two HfCo clusters. In each HfCo cluster, Hf(1) is bonded in a single-bond geometry to one Co(3) atom. The Hf(1)-Co(3) bond length is 1.33 Å. Co(3) is bonded in a single-bond geometry to one Hf(1) atom.