data_Hf2CrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.31
_cell_length_c   6.28
_cell_angle_alpha   90.0
_cell_angle_beta   93.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CrCu
_chemical_formula_sum   'Hf2 Cr1 Cu1'
_cell_volume   65.98
_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  0.35  0.66  0.77  1.0
  Hf  Hf3  1  0.49  0.66  0.5  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.83  0.0  0.14  1.0

data_Hf2CrCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   3.31
_cell_length_c   6.28
_cell_angle_alpha   90.0
_cell_angle_beta   93.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CrCu
_chemical_formula_sum   'Hf2 Cr1 Cu1'
_cell_volume   65.98
_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  0.35  0.66  0.77  1.0
  Hf  Hf1  1  0.49  0.66  0.5  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Cu  Cu3  1  0.83  0.0  0.14  1.0

Hf Hf Cr Cu
Hf2CrCu crystallizes in the triclinic P1 space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 4-coordinate geometry to one Hf(2) and three equivalent Cr(1) atoms. The Hf(1)-Hf(2) bond length is 1.78 Å. There are a spread of Hf(1)-Cr(1) bond distances ranging from 2.18-2.86 Å. In the second Hf site, Hf(2) is bonded in a 2-coordinate geometry to one Hf(1) and one Cu(1) atom. The Hf(2)-Cu(1) bond length is 2.83 Å. Cr(1) is bonded in a distorted single-bond geometry to three equivalent Hf(1) and one Cu(1) atom. The Cr(1)-Cu(1) bond length is 1.04 Å. Cu(1) is bonded in a single-bond geometry to one Hf(2) and one Cr(1) atom.