data_HfReW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   6.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfReW2
_chemical_formula_sum   'Hf1 Re1 W2'
_cell_volume   67.67
_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  0.29  1.0
  Re  Re1  1  0.61  0.61  0.99  1.0
  W  W2  1  0.0  0.0  0.53  1.0
  W  W3  1  0.61  0.61  0.55  1.0

data_HfReW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   6.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfReW2
_chemical_formula_sum   'Hf2 Re2 W4'
_cell_volume   135.33
_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  0.29  1.0
  Re  Re1  2  0.11  0.5  0.99  1.0
  W  W2  2  0.0  0.0  0.53  1.0
  W  W3  2  0.11  0.5  0.55  1.0

Hf Re W W
HfW2Re crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a single-bond geometry to one W(1), one W(2), and three equivalent Re(1) atoms. The Hf(1)-W(1) bond length is 1.60 Å. The Hf(1)-W(2) bond length is 2.48 Å. There is one shorter (2.62 Å) and two longer (3.01 Å) Hf(1)-Re(1) bond lengths. There are two inequivalent W sites. In the first W site, W(1) is bonded in a single-bond geometry to one Hf(1) and three equivalent W(2) atoms. There is one shorter (1.79 Å) and two longer (2.33 Å) W(1)-W(2) bond lengths. In the second W site, W(2) is bonded in a 5-coordinate geometry to one Hf(1), three equivalent W(1), and one Re(1) atom. The W(2)-Re(1) bond length is 2.90 Å. Re(1) is bonded in a 4-coordinate geometry to three equivalent Hf(1) and one W(2) atom.