data_Ta2AlW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   5.18
_cell_angle_alpha   95.64
_cell_angle_beta   95.64
_cell_angle_gamma   32.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2AlW
_chemical_formula_sum   'Ta2 Al1 W1'
_cell_volume   68.82
_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
  Ta  Ta1  1  0.97  0.0  0.26  1.0
  Ta  Ta2  1  0.06  0.0  0.89  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.51  0.0  0.58  1.0

data_Ta2AlW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.98
_cell_length_c   5.18
_cell_angle_alpha   95.64
_cell_angle_beta   90.0
_cell_angle_gamma   106.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2AlW
_chemical_formula_sum   'Ta2 Al1 W1'
_cell_volume   68.82
_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
  Ta  Ta0  1  0.0  0.03  0.74  1.0
  Ta  Ta1  1  0.0  0.94  0.11  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.49  0.42  1.0

Ta Ta Al W
Ta2WAl crystallizes in the triclinic P1 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 1-coordinate geometry to four equivalent W(1) and one Al(1) atom. There are a spread of Ta(1)-W(1) bond distances ranging from 2.92-3.58 Å. The Ta(1)-Al(1) bond length is 1.37 Å. In the second Ta site, Ta(2) is bonded in a single-bond geometry to four equivalent W(1) and one Al(1) atom. There are a spread of Ta(2)-W(1) bond distances ranging from 2.92-3.58 Å. The Ta(2)-Al(1) bond length is 0.66 Å. W(1) is bonded in a 11-coordinate geometry to four equivalent Ta(1), four equivalent Ta(2), two equivalent W(1), and one Al(1) atom. Both W(1)-W(1) bond lengths are 2.80 Å. The W(1)-Al(1) bond length is 3.11 Å. Al(1) is bonded in a 2-coordinate geometry to one Ta(1), one Ta(2), and one W(1) atom.