data_Hf4W5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.41
_cell_length_b   8.41
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf4W5
_chemical_formula_sum   'Hf8 W10'
_cell_volume   332.83
_cell_formula_units_Z   2
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  0.72  1.0
  Hf  Hf1  1  0.0  0.0  0.0  1.0
  Hf  Hf2  1  0.33  0.0  0.08  1.0
  Hf  Hf3  1  0.33  0.62  0.08  1.0
  Hf  Hf4  1  0.54  0.66  0.08  1.0
  Hf  Hf5  1  0.07  0.0  0.36  1.0
  Hf  Hf6  1  0.46  0.66  0.36  1.0
  Hf  Hf7  1  0.67  0.62  0.36  1.0
  W  W8  1  0.62  0.0  0.08  1.0
  W  W9  1  0.69  0.27  0.08  1.0
  W  W10  1  0.9  0.02  0.08  1.0
  W  W11  1  0.79  0.0  0.36  1.0
  W  W12  1  0.1  0.02  0.36  1.0
  W  W13  1  0.31  0.27  0.36  1.0
  W  W14  1  0.0  0.85  0.72  1.0
  W  W15  1  0.2  0.43  0.0  1.0
  W  W16  1  0.2  0.43  0.72  1.0
  W  W17  1  0.0  0.85  0.0  1.0

data_Hf4W5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.44
_cell_length_b   8.41
_cell_length_c   8.41
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf4W5
_chemical_formula_sum   'Hf8 W10'
_cell_volume   332.83
_cell_formula_units_Z   2
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
  Hf  Hf1  1  0.08  0.33  0.0  1.0
  Hf  Hf2  1  0.08  0.33  0.62  1.0
  Hf  Hf3  1  0.08  0.54  0.66  1.0
  Hf  Hf4  1  0.36  0.07  0.0  1.0
  Hf  Hf5  1  0.36  0.46  0.66  1.0
  Hf  Hf6  1  0.36  0.67  0.62  1.0
  Hf  Hf7  1  0.72  0.0  0.0  1.0
  W  W8  1  0.0  0.0  0.85  1.0
  W  W9  1  0.0  0.2  0.43  1.0
  W  W10  1  0.08  0.62  0.0  1.0
  W  W11  1  0.08  0.69  0.27  1.0
  W  W12  1  0.08  0.9  0.02  1.0
  W  W13  1  0.36  0.1  0.02  1.0
  W  W14  1  0.36  0.31  0.27  1.0
  W  W15  1  0.36  0.79  0.0  1.0
  W  W16  1  0.72  0.0  0.85  1.0
  W  W17  1  0.72  0.2  0.43  1.0

Hf Hf Hf Hf Hf Hf Hf Hf W W W W W W W W W W
Hf Hf Hf Hf Hf Hf Hf Hf W W W W W W W W W W 0 14 o - o 1 10 - o o 1 17 o - o 1 2 o o o 2 17 o - o 2 13 o o o 2 12 o o o 2 5 o o o 2 9 o o o 2 8 o o o 3 15 o o o 3 6 o o o 3 4 o o o 4 6 o o o 4 7 o o o 5 12 o o o 5 13 o o o 6 7 o o o 8 9 o o o 8 11 o o o 8 10 o o o 10 11 o o o 12 13 o o o 15 16 o o - 
Hf4W5 crystallizes in the triclinic P1 space group. There are eight inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a single-bond geometry to one W(4), one W(7), and one W(9) atom. The Hf(1)-W(4) bond length is 2.63 Å. The Hf(1)-W(7) bond length is 1.23 Å. The Hf(1)-W(9) bond length is 3.11 Å. In the second Hf site, Hf(2) is bonded in a bent 120 degrees geometry to one W(10) and one W(3) atom. The Hf(2)-W(10) bond length is 1.23 Å. The Hf(2)-W(3) bond length is 1.04 Å. In the third Hf site, Hf(3) is bonded in a 5-coordinate geometry to one W(1), one W(10), one W(2), one W(5), and one W(6) atom. The Hf(3)-W(1) bond length is 2.38 Å. The Hf(3)-W(10) bond length is 2.47 Å. The Hf(3)-W(2) bond length is 2.71 Å. The Hf(3)-W(5) bond length is 2.51 Å. The Hf(3)-W(6) bond length is 2.80 Å. In the fourth Hf site, Hf(4) is bonded in a distorted single-bond geometry to one Hf(5), one Hf(7), one W(1), and one W(8) atom. The Hf(4)-Hf(5) bond length is 1.56 Å. The Hf(4)-Hf(7) bond length is 1.80 Å. The Hf(4)-W(1) bond length is 2.88 Å. The Hf(4)-W(8) bond length is 1.49 Å. In the fifth Hf site, Hf(5) is bonded in a 5-coordinate geometry to one Hf(4), one Hf(7), one Hf(8), one W(1), and one W(3) atom. The Hf(5)-Hf(7) bond length is 1.65 Å. The Hf(5)-Hf(8) bond length is 2.01 Å. The Hf(5)-W(1) bond length is 2.57 Å. The Hf(5)-W(3) bond length is 2.99 Å. In the sixth Hf site, Hf(6) is bonded in a single-bond geometry to one W(4) and one W(5) atom. The Hf(6)-W(4) bond length is 2.38 Å. The Hf(6)-W(5) bond length is 0.22 Å. In the seventh Hf site, Hf(7) is bonded in a 7-coordinate geometry to one Hf(4), one Hf(5), one Hf(8), one W(1), one W(4), one W(6), and one W(9) atom. The Hf(7)-Hf(8) bond length is 1.92 Å. The Hf(7)-W(1) bond length is 2.90 Å. The Hf(7)-W(4) bond length is 2.80 Å. The Hf(7)-W(6) bond length is 2.91 Å. The Hf(7)-W(9) bond length is 2.86 Å. In the eighth Hf site, Hf(8) is bonded in a 7-coordinate geometry to one Hf(5), one Hf(7), one W(10), one W(2), one W(4), one W(6), and one W(7) atom. The Hf(8)-W(10) bond length is 3.17 Å. The Hf(8)-W(2) bond length is 3.44 Å. The Hf(8)-W(4) bond length is 2.83 Å. The Hf(8)-W(6) bond length is 2.99 Å. The Hf(8)-W(7) bond length is 3.17 Å. There are ten inequivalent W sites. In the first W site, W(1) is bonded in a 7-coordinate geometry to one Hf(3), one Hf(4), one Hf(5), one Hf(7), one W(2), one W(3), and one W(4) atom. The W(1)-W(2) bond length is 1.99 Å. The W(1)-W(3) bond length is 2.29 Å. The W(1)-W(4) bond length is 2.12 Å. In the second W site, W(2) is bonded in a 3-coordinate geometry to one Hf(3), one Hf(8), and one W(1) atom. In the third W site, W(3) is bonded in a single-bond geometry to one Hf(2), one Hf(5), one W(1), and one W(4) atom. The W(3)-W(4) bond length is 1.74 Å. In the fourth W site, W(4) is bonded in a 6-coordinate geometry to one Hf(1), one Hf(6), one Hf(7), one Hf(8), one W(1), and one W(3) atom. In the fifth W site, W(5) is bonded in a single-bond geometry to one Hf(3), one Hf(6), and one W(6) atom. The W(5)-W(6) bond length is 1.94 Å. In the sixth W site, W(6) is bonded in a 4-coordinate geometry to one Hf(3), one Hf(7), one Hf(8), and one W(5) atom. In the seventh W site, W(7) is bonded in a single-bond geometry to one Hf(1) and one Hf(8) atom. In the eighth W site, W(8) is bonded in a distorted single-bond geometry to one Hf(4) and one W(9) atom. The W(8)-W(9) bond length is 1.53 Å. In the ninth W site, W(9) is bonded in a 3-coordinate geometry to one Hf(1), one Hf(7), and one W(8) atom. In the tenth W site, W(10) is bonded in a single-bond geometry to one Hf(2), one Hf(3), and one Hf(8) atom.