data_HfZnRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZnRe2
_chemical_formula_sum   'Hf1 Zn1 Re2'
_cell_volume   65.41
_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  0.0  0.0  0.9  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.68  0.68  0.55  1.0
  Re  Re2  1  0.68  0.68  0.25  1.0

data_HfZnRe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfZnRe2
_chemical_formula_sum   'Hf2 Zn2 Re4'
_cell_volume   130.83
_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  0.9  1.0
  Zn  Zn1  2  0.0  0.0  0.0  1.0
  Re  Re2  2  0.18  0.5  0.25  1.0
  Re  Re3  2  0.18  0.5  0.55  1.0

Hf Zn Re Re
HfRe2Zn crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a single-bond geometry to one Re(1) and one Zn(1) atom. The Hf(1)-Re(1) bond length is 2.55 Å. The Hf(1)-Zn(1) bond length is 0.56 Å. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 2-coordinate geometry to one Hf(1) and one Re(2) atom. The Re(1)-Re(2) bond length is 1.73 Å. In the second Re site, Re(2) is bonded in a 4-coordinate geometry to one Re(1) and three equivalent Zn(1) atoms. There is one shorter (2.13 Å) and two longer (2.92 Å) Re(2)-Zn(1) bond lengths. Zn(1) is bonded in a distorted single-bond geometry to one Hf(1) and three equivalent Re(2) atoms.