data_Hf2CuRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   3.25
_cell_angle_alpha   92.27
_cell_angle_beta   92.27
_cell_angle_gamma   92.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CuRe
_chemical_formula_sum   'Hf2 Cu1 Re1'
_cell_volume   68.98
_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  Hf1  1  0.51  0.66  0.62  1.0
  Hf  Hf2  1  0.51  0.34  0.62  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.2  0.0  0.0  1.0

data_Hf2CuRe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.25
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   90.0
_cell_angle_beta   92.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Hf2CuRe
_chemical_formula_sum   'Hf2 Cu1 Re1'
_cell_volume   69.09
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.62  0.34  0.51  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.0  0.0  0.2  1.0

Hf Hf Cu Re
Hf Hf Cu Re 0 1 o o o 2 3 o o o 
Hf2ReCu crystallizes in the monoclinic Pm space group. Hf(1) is bonded in a 4-coordinate geometry to one Hf(1), two equivalent Re(1), and one Cu(1) atom. The Hf(1)-Hf(1) bond length is 1.49 Å. There is one shorter (2.47 Å) and one longer (2.88 Å) Hf(1)-Re(1) bond length. The Hf(1)-Cu(1) bond length is 2.98 Å. Re(1) is bonded in a 5-coordinate geometry to four equivalent Hf(1) and one Cu(1) atom. The Re(1)-Cu(1) bond length is 0.92 Å. Cu(1) is bonded in a distorted single-bond geometry to two equivalent Hf(1) and one Re(1) atom.