data_Hf2AlW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.67
_cell_length_b   7.67
_cell_length_c   7.67
_cell_angle_alpha   151.58
_cell_angle_beta   151.58
_cell_angle_gamma   40.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2AlW2
_chemical_formula_sum   'Hf2 Al1 W2'
_cell_volume   101.89
_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  0.62  1.0
  Hf  Hf2  1  0.0  0.0  0.76  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.88  0.6  1.0
  W  W4  1  0.88  0.0  0.6  1.0

data_Hf2AlW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   7.67
_cell_angle_alpha   90.0
_cell_angle_beta   110.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2AlW2
_chemical_formula_sum   'Hf4 Al2 W4'
_cell_volume   203.77
_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  0.12  0.5  0.62  1.0
  Hf  Hf1  2  0.26  0.5  0.76  1.0
  Al  Al2  2  0.0  0.0  0.0  1.0
  W  W3  4  0.15  0.44  0.71  1.0

Hf Hf Al W W
Hf2W2Al crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Hf2W2Al clusters. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 2-coordinate geometry to two equivalent W(1) atoms. Both Hf(1)-W(1) bond lengths are 0.72 Å. In the second Hf site, Hf(2) is bonded in a 2-coordinate geometry to two equivalent W(1) and one Al(1) atom. Both Hf(2)-W(1) bond lengths are 0.62 Å. The Hf(2)-Al(1) bond length is 1.86 Å. W(1) is bonded in a distorted water-like geometry to one Hf(1) and one Hf(2) atom. Al(1) is bonded in a single-bond geometry to one Hf(2) atom.