data_Hf2CoCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   3.19
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CoCu
_chemical_formula_sum   'Hf2 Co1 Cu1'
_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  Hf2  1  0.59  0.59  0.88  1.0
  Hf  Hf3  1  0.59  0.59  0.54  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.0  0.21  1.0

data_Hf2CoCu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2CoCu
_chemical_formula_sum   'Hf4 Co2 Cu2'
_cell_volume   130.55
_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  0.09  0.5  0.54  1.0
  Hf  Hf1  2  0.09  0.5  0.88  1.0
  Co  Co2  2  0.0  0.0  0.0  1.0
  Cu  Cu3  2  0.0  0.0  0.21  1.0

Hf Hf Co Cu
Hf2CoCu crystallizes in the monoclinic Cm space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 5-coordinate geometry to one Hf(2) and four equivalent Co(1) atoms. The Hf(1)-Hf(2) bond length is 2.16 Å. There are a spread of Hf(1)-Co(1) bond distances ranging from 1.99-2.79 Å. In the second Hf site, Hf(2) is bonded in a 9-coordinate geometry to one Hf(1), four equivalent Hf(2), and four equivalent Cu(1) atoms. All Hf(2)-Hf(2) bond lengths are 3.19 Å. There are a spread of Hf(2)-Cu(1) bond distances ranging from 2.81-3.42 Å. Co(1) is bonded in a 5-coordinate geometry to four equivalent Hf(1) and one Cu(1) atom. The Co(1)-Cu(1) bond length is 1.34 Å. Cu(1) is bonded in a 1-coordinate geometry to four equivalent Hf(2) and one Co(1) atom.