data_CoNiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   153.07
_cell_angle_beta   153.07
_cell_angle_gamma   38.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiAu
_chemical_formula_sum   'Co1 Ni1 Au1'
_cell_volume   40.44
_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  0.49  1.0
  Ni  Ni2  1  0.0  0.0  0.5  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_CoNiAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   109.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoNiAu
_chemical_formula_sum   'Co2 Ni2 Au2'
_cell_volume   80.88
_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  0.51  1.0
  Ni  Ni1  2  0.0  0.0  0.5  1.0
  Au  Au2  2  0.0  0.0  1.0  1.0

Co Ni Au
CoNiAu crystallizes in the monoclinic Cm space group. Co(1) is bonded in a single-bond geometry to one Ni(1) and one Au(1) atom. The Co(1)-Ni(1) bond length is 0.02 Å. The Co(1)-Au(1) bond length is 2.86 Å. Ni(1) is bonded in a single-bond geometry to one Co(1) and one Au(1) atom. The Ni(1)-Au(1) bond length is 2.95 Å. Au(1) is bonded in a 6-coordinate geometry to one Co(1), one Ni(1), and four equivalent Au(1) atoms. All Au(1)-Au(1) bond lengths are 2.71 Å.