data_Al2CuW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   147.46
_cell_angle_beta   126.24
_cell_angle_gamma   64.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CuW
_chemical_formula_sum   'Al2 Cu1 W1'
_cell_volume   57.99
_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
  Al  Al0  1  0.44  0.0  0.01  1.0
  Al  Al1  1  0.0  0.32  0.33  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.35  1.0

data_Al2CuW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.64
_cell_length_c   5.13
_cell_angle_alpha   116.88
_cell_angle_beta   106.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CuW
_chemical_formula_sum   'Al2 Cu1 W1'
_cell_volume   57.99
_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
  Al  Al0  1  0.0  0.01  0.58  1.0
  Al  Al1  1  0.68  0.01  0.01  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.35  0.35  1.0

Al Al Cu W
Al Al Cu W 0 1 o - - 0 1 o o o 0 1 + o o 0 3 o o - 0 3 + o o 0 0 o + + 0 2 o o o 1 2 o o o 1 3 o o o 2 3 o o o 
WCuAl2 crystallizes in the triclinic P1 space group. W(1) is bonded in a 4-coordinate geometry to one Cu(1), one Al(2), and two equivalent Al(1) atoms. The W(1)-Cu(1) bond length is 1.77 Å. The W(1)-Al(2) bond length is 1.71 Å. There is one shorter (2.33 Å) and one longer (2.77 Å) W(1)-Al(1) bond length. Cu(1) is bonded in a distorted single-bond geometry to one W(1), one Al(1), and two equivalent Al(2) atoms. The Cu(1)-Al(1) bond length is 2.20 Å. There is one shorter (0.94 Å) and one longer (1.94 Å) Cu(1)-Al(2) bond length. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 3-coordinate geometry to two equivalent W(1) and one Cu(1) atom. In the second Al site, Al(2) is bonded in a 3-coordinate geometry to one W(1) and two equivalent Cu(1) atoms.