data_Al2W3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   69.1
_cell_angle_beta   69.1
_cell_angle_gamma   69.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2W3
_chemical_formula_sum   'Al4 W6'
_cell_volume   168.1
_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
  Al  Al0  1  0.0  0.0  0.44  1.0
  Al  Al1  1  0.0  0.0  0.19  1.0
  Al  Al2  1  0.0  0.0  0.06  1.0
  Al  Al3  1  0.0  0.0  0.81  1.0
  W  W4  1  0.46  0.0  0.94  1.0
  W  W5  1  0.77  0.34  0.94  1.0
  W  W6  1  0.77  0.66  0.94  1.0
  W  W7  1  0.23  0.34  0.31  1.0
  W  W8  1  0.23  0.66  0.31  1.0
  W  W9  1  0.54  0.0  0.31  1.0

data_Al2W3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   69.1
_cell_angle_beta   69.1
_cell_angle_gamma   69.1
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Al2W3
_chemical_formula_sum   'Al4 W6'
_cell_volume   168.1
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Al  Al0  2  0.0  0.0  0.19  1.0
  Al  Al1  2  0.0  0.0  0.44  1.0
  W  W2  2  0.0  0.46  0.31  1.0
  W  W3  2  0.34  0.23  0.69  1.0
  W  W4  2  0.34  0.77  0.31  1.0

Al Al Al Al W W W W W W
Al Al Al Al W W W W W W 0 1 o o o 0 8 o - o 1 2 o o o 1 4 o o - 1 5 - o - 1 8 o - o 1 9 - o o 2 3 o o - 2 4 o o - 2 5 - o - 2 8 o - o 2 9 - o o 3 5 - o o 4 8 o - + 4 6 o - o 4 9 o o + 5 6 o o o 5 9 o o + 7 9 o o o 7 8 o o o 
W3Al2 crystallizes in the triclinic P-1 space group. There are three inequivalent W sites. In the first W site, W(1) is bonded in a 7-coordinate geometry to one W(1), one W(2), one W(3), two equivalent Al(1), and two equivalent Al(2) atoms. The W(1)-W(1) bond length is 2.43 Å. The W(1)-W(2) bond length is 2.68 Å. The W(1)-W(3) bond length is 2.17 Å. There is one shorter (2.99 Å) and one longer (3.00 Å) W(1)-Al(1) bond length. There is one shorter (2.50 Å) and one longer (2.54 Å) W(1)-Al(2) bond length. In the second W site, W(2) is bonded in a 3-coordinate geometry to one W(1), one W(3), one Al(1), and one Al(2) atom. The W(2)-W(3) bond length is 1.89 Å. The W(2)-Al(1) bond length is 2.16 Å. The W(2)-Al(2) bond length is 2.00 Å. In the third W site, W(3) is bonded in a 4-coordinate geometry to one W(1), one W(2), and two equivalent Al(1) atoms. There is one shorter (2.52 Å) and one longer (3.04 Å) W(3)-Al(1) bond length. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 3-coordinate geometry to one W(2), two equivalent W(1), two equivalent W(3), and one Al(2) atom. The Al(1)-Al(2) bond length is 1.44 Å. In the second Al site, Al(2) is bonded in a 1-coordinate geometry to one W(2), two equivalent W(1), one Al(1), and one Al(2) atom. The Al(2)-Al(2) bond length is 0.75 Å.