data_HfZr2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   3.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZr2Re
_chemical_formula_sum   'Hf1 Zr2 Re1'
_cell_volume   79.59
_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  0.0  1.0
  Zr  Zr2  1  0.41  0.0  0.71  1.0
  Zr  Zr3  1  0.0  0.41  0.71  1.0
  Re  Re1  1  0.41  0.41  0.0  1.0

data_HfZr2Re
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.83
_cell_length_b   6.83
_cell_length_c   3.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfZr2Re
_chemical_formula_sum   'Hf2 Zr4 Re2'
_cell_volume   159.17
_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  0.0  1.0
  Zr  Zr1  4  0.21  0.21  0.71  1.0
  Re  Re2  2  0.41  0.0  0.0  1.0

Hf Zr Zr Re
HfZr2Re crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two HfZr2Re clusters. Hf(1) is bonded in a 2-coordinate geometry to two equivalent Zr(1) atoms. Both Hf(1)-Zr(1) bond lengths are 2.23 Å. Zr(1) is bonded in a 1-coordinate geometry to one Hf(1) and one Re(1) atom. The Zr(1)-Re(1) bond length is 2.23 Å. Re(1) is bonded in a 2-coordinate geometry to two equivalent Zr(1) atoms.