data_Si2WAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   5.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2WAu
_chemical_formula_sum   'Si2 W1 Au1'
_cell_volume   61.04
_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
  Si  Si1  1  0.62  0.62  0.54  1.0
  Si  Si2  1  0.62  0.62  0.3  1.0
  W  W3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.92  1.0

data_Si2WAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   5.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Si2WAu
_chemical_formula_sum   'Si4 W2 Au2'
_cell_volume   122.07
_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
  Si  Si0  2  0.12  0.5  0.3  1.0
  Si  Si1  2  0.12  0.5  0.54  1.0
  W  W2  2  0.0  0.0  0.0  1.0
  Au  Au3  2  0.0  0.0  0.92  1.0

Si Si W Au
Si Si W Au 0 1 o o o 2 3 o o - 
WAuSi2 crystallizes in the monoclinic Cm space group. W(1) is bonded in a single-bond geometry to one Au(1) and four equivalent Si(2) atoms. The W(1)-Au(1) bond length is 0.45 Å. There are a spread of W(1)-Si(2) bond distances ranging from 2.50-3.33 Å. Au(1) is bonded in a single-bond geometry to one W(1) and one Si(1) atom. The Au(1)-Si(1) bond length is 2.84 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted bent 150 degrees geometry to one Au(1) and one Si(2) atom. The Si(1)-Si(2) bond length is 1.38 Å. In the second Si site, Si(2) is bonded in a 5-coordinate geometry to four equivalent W(1) and one Si(1) atom.