data_Co2WAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.76
_cell_length_b   8.76
_cell_length_c   8.76
_cell_angle_alpha   18.15
_cell_angle_beta   18.15
_cell_angle_gamma   18.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2WAu
_chemical_formula_sum   'Co2 W1 Au1'
_cell_volume   56.9
_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
  Co  Co1  1  0.0  0.0  0.58  1.0
  Co  Co2  1  0.0  0.0  0.26  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_Co2WAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.78
_cell_length_b   2.76
_cell_length_c   8.76
_cell_angle_alpha   90.0
_cell_angle_beta   100.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Co2WAu
_chemical_formula_sum   'Co4 W2 Au2'
_cell_volume   113.81
_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
  Co  Co0  2  -0.0  0.0  0.42  1.0
  Co  Co1  2  0.0  0.0  0.74  1.0
  W  W2  2  0.0  0.0  0.0  1.0
  Au  Au3  2  -0.0  0.0  0.08  1.0

Co Co W Au
Co Co W Au 0 0 o + - 0 0 + - o 0 0 + o - 0 1 o o o 0 3 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 2 o o o 1 3 o o - 2 3 o o - 
WCo2Au crystallizes in the monoclinic Cm space group. W(1) is bonded in a distorted single-bond geometry to one Co(2) and one Au(1) atom. The W(1)-Co(2) bond length is 2.24 Å. The W(1)-Au(1) bond length is 0.73 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one Co(2), six equivalent Co(1), and one Au(1) atom to form a mixture of distorted corner and edge-sharing CoCo7Au hexagonal bipyramids. The Co(1)-Co(2) bond length is 2.81 Å. All Co(1)-Co(1) bond lengths are 2.76 Å. The Co(1)-Au(1) bond length is 2.97 Å. In the second Co site, Co(2) is bonded in a single-bond geometry to one W(1) and one Co(1) atom. Au(1) is bonded in a single-bond geometry to one W(1) and one Co(1) atom.