data_Al2BW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   3.03
_cell_length_c   6.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2BW
_chemical_formula_sum   'Al2 B1 W1'
_cell_volume   58.0
_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  0.13  1.0
  Al  Al1  1  0.51  0.51  0.68  1.0
  B  B2  1  0.0  0.0  0.73  1.0
  W  W3  1  0.51  0.51  0.28  1.0

data_Al2BW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   6.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2BW
_chemical_formula_sum   'Al4 B2 W2'
_cell_volume   116.0
_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  0.13  1.0
  Al  Al1  2  0.01  0.5  0.68  1.0
  B  B2  2  0.0  0.0  0.73  1.0
  W  W3  2  0.01  0.5  0.28  1.0

Al Al B W
WAl2B is Millerite-derived structured and crystallizes in the monoclinic Cm space group. W(1) is bonded in a 5-coordinate geometry to one Al(2) and four equivalent Al(1) atoms. The W(1)-Al(2) bond length is 2.54 Å. There are a spread of W(1)-Al(1) bond distances ranging from 2.29-2.40 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 5-coordinate geometry to four equivalent W(1) and one B(1) atom. The Al(1)-B(1) bond length is 2.52 Å. In the second Al site, Al(2) is bonded to one W(1) and four equivalent B(1) atoms to form a mixture of corner and edge-sharing AlB4W square pyramids. There are a spread of Al(2)-B(1) bond distances ranging from 2.11-2.22 Å. B(1) is bonded to one Al(1) and four equivalent Al(2) atoms to form a mixture of corner and edge-sharing BAl5 square pyramids.