data_AlFe2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2W
_chemical_formula_sum   'Al1 Fe2 W1'
_cell_volume   52.63
_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  0.0  0.95  1.0
  Fe  Fe1  1  0.44  0.44  0.09  1.0
  Fe  Fe2  1  0.0  0.0  0.42  1.0
  W  W3  1  0.44  0.44  0.06  1.0

data_AlFe2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlFe2W
_chemical_formula_sum   'Al2 Fe4 W2'
_cell_volume   105.26
_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
  Al  Al0  2  0.0  0.0  0.95  1.0
  Fe  Fe1  2  0.0  0.0  0.42  1.0
  Fe  Fe2  2  0.44  0.0  0.09  1.0
  W  W3  2  0.44  0.0  0.06  1.0

Al Fe Fe W
WFe2Al crystallizes in the monoclinic Cm space group. W(1) is bonded in a single-bond geometry to one Fe(1) and four equivalent Al(1) atoms. The W(1)-Fe(1) bond length is 0.15 Å. There are a spread of W(1)-Al(1) bond distances ranging from 1.93-2.39 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to one W(1) and four equivalent Fe(2) atoms. There are a spread of Fe(1)-Fe(2) bond distances ranging from 2.79-3.13 Å. In the second Fe site, Fe(2) is bonded in a 10-coordinate geometry to four equivalent Fe(1), four equivalent Fe(2), and two equivalent Al(1) atoms. All Fe(2)-Fe(2) bond lengths are 2.88 Å. There is one shorter (3.01 Å) and one longer (3.34 Å) Fe(2)-Al(1) bond length. Al(1) is bonded in a 4-coordinate geometry to four equivalent W(1) and two equivalent Fe(2) atoms.