data_HfReGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfReGe2
_chemical_formula_sum   'Hf1 Re1 Ge2'
_cell_volume   67.23
_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  0.0  0.0  0.06  1.0
  Re  Re3  1  0.66  0.66  0.79  1.0
  Ge  Ge0  1  0.0  0.0  0.99  1.0
  Ge  Ge1  1  0.66  0.66  0.46  1.0

data_HfReGe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfReGe2
_chemical_formula_sum   'Hf2 Re2 Ge4'
_cell_volume   134.46
_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  0.06  1.0
  Re  Re1  2  0.16  0.5  0.79  1.0
  Ge  Ge2  2  0.0  0.0  0.99  1.0
  Ge  Ge3  2  0.16  0.5  0.46  1.0

Hf Re Ge Ge
HfReGe2 crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a single-bond geometry to one Ge(1) and three equivalent Ge(2) atoms. The Hf(1)-Ge(1) bond length is 0.45 Å. There is one shorter (2.92 Å) and two longer (3.46 Å) Hf(1)-Ge(2) bond lengths. Re(1) is bonded in a 2-coordinate geometry to one Ge(1) and one Ge(2) atom. The Re(1)-Ge(1) bond length is 2.01 Å. The Re(1)-Ge(2) bond length is 2.03 Å. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a single-bond geometry to one Hf(1) and one Re(1) atom. In the second Ge site, Ge(2) is bonded in a distorted bent 150 degrees geometry to three equivalent Hf(1) and one Re(1) atom.