data_BW2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BW2Au
_chemical_formula_sum   'B1 W2 Au1'
_cell_volume   55.58
_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
  B  B1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.41  0.41  0.31  1.0
  W  W3  1  0.41  0.41  0.72  1.0
  Au  Au0  1  0.0  0.0  0.51  1.0

data_BW2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.98
_cell_length_b   3.98
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BW2Au
_chemical_formula_sum   'B2 W4 Au2'
_cell_volume   111.16
_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
  B  B0  2  0.0  0.0  0.0  1.0
  W  W1  2  0.41  0.0  0.31  1.0
  W  W2  2  0.41  0.0  0.72  1.0
  Au  Au3  2  0.0  0.0  0.51  1.0

B W W Au
B W W Au 0 2 - - - 0 2 - o - 0 2 o - - 0 2 o o - 0 1 - - o 0 1 - o o 0 1 o - o 0 1 o o o 0 0 + o o 0 0 o + o 1 3 o o o 1 3 o + o 1 3 + o o 1 3 + + o 1 1 + o o 1 1 o + o 1 2 o o o 2 3 o o o 2 3 o + o 2 3 + o o 2 3 + + o 2 2 + o o 2 2 o + o 
W2AuB crystallizes in the monoclinic Cm space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 1-coordinate geometry to four equivalent Au(1) and three equivalent B(1) atoms. There are a spread of W(1)-Au(1) bond distances ranging from 2.15-2.75 Å. There is one shorter (2.73 Å) and two longer (2.99 Å) W(1)-B(1) bond lengths. In the second W site, W(2) is bonded in a 4-coordinate geometry to four equivalent Au(1) and four equivalent B(1) atoms. There are a spread of W(2)-Au(1) bond distances ranging from 2.15-2.75 Å. There are a spread of W(2)-B(1) bond distances ranging from 2.57-3.09 Å. Au(1) is bonded in a 8-coordinate geometry to four equivalent W(1) and four equivalent W(2) atoms. B(1) is bonded in a 7-coordinate geometry to three equivalent W(1) and four equivalent W(2) atoms.