data_HfAlW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   8.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAlW2
_chemical_formula_sum   'Hf1 Al1 W2'
_cell_volume   68.5
_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  0.0  0.0  0.4  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.4  0.4  0.77  1.0
  W  W3  1  0.4  0.4  0.02  1.0

data_HfAlW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   8.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfAlW2
_chemical_formula_sum   'Hf2 Al2 W4'
_cell_volume   137.01
_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  0.4  1.0
  Al  Al1  2  0.0  0.0  0.0  1.0
  W  W2  2  0.4  0.0  0.02  1.0
  W  W3  2  0.4  0.0  0.77  1.0

Hf Al W W
HfW2Al crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a 13-coordinate geometry to four equivalent Hf(1), four equivalent W(1), four equivalent W(2), and one Al(1) atom. All Hf(1)-Hf(1) bond lengths are 2.79 Å. There are a spread of Hf(1)-W(1) bond distances ranging from 3.62-4.04 Å. There are a spread of Hf(1)-W(2) bond distances ranging from 3.62-4.04 Å. The Hf(1)-Al(1) bond length is 3.47 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 12-coordinate geometry to four equivalent Hf(1), one W(2), four equivalent W(1), and four equivalent Al(1) atoms. The W(1)-W(2) bond length is 2.26 Å. All W(1)-W(1) bond lengths are 2.79 Å. There are a spread of W(1)-Al(1) bond distances ranging from 2.58-3.15 Å. In the second W site, W(2) is bonded in a 3-coordinate geometry to four equivalent Hf(1), one W(1), and three equivalent Al(1) atoms. There is one shorter (1.58 Å) and two longer (2.03 Å) W(2)-Al(1) bond lengths. Al(1) is bonded in a 3-coordinate geometry to one Hf(1), three equivalent W(2), and four equivalent W(1) atoms.