data_HfFeW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   7.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFeW2
_chemical_formula_sum   'Hf1 Fe1 W2'
_cell_volume   63.84
_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  0.42  0.42  0.69  1.0
  Fe  Fe0  1  0.0  0.0  0.82  1.0
  W  W2  1  0.0  0.0  0.11  1.0
  W  W3  1  0.42  0.42  0.29  1.0

data_HfFeW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.01
_cell_length_b   4.01
_cell_length_c   7.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfFeW2
_chemical_formula_sum   'Hf2 Fe2 W4'
_cell_volume   127.68
_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  0.42  0.0  0.69  1.0
  Fe  Fe1  2  0.0  0.0  0.82  1.0
  W  W2  2  0.0  0.0  0.11  1.0
  W  W3  2  0.42  0.0  0.29  1.0

Hf Fe W W
HfW2Fe crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a 5-coordinate geometry to one W(2) and four equivalent Fe(1) atoms. The Hf(1)-W(2) bond length is 3.22 Å. There are a spread of Hf(1)-Fe(1) bond distances ranging from 1.96-2.55 Å. There are three inequivalent W sites. In the first W site, W(1) is bonded in a distorted single-bond geometry to four W(2,2) and one Fe(1) atom. There are a spread of W(1)-W(2,2) bond distances ranging from 2.19-2.73 Å. The W(1)-Fe(1) bond length is 2.30 Å. In the second W site, W(2) is bonded in a 9-coordinate geometry to one Hf(1), four equivalent W(1), and four equivalent W(2) atoms. All W(2)-W(2) bond lengths are 2.83 Å. In the third W site, W(2) is bonded in a 9-coordinate geometry to one Hf(1), four equivalent W(1), and four equivalent W(2) atoms. The W(2)-Hf(1) bond length is 3.22 Å. Fe(1) is bonded in a 5-coordinate geometry to four equivalent Hf(1) and one W(1) atom.