data_Y2CoAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   121.04
_cell_angle_beta   119.54
_cell_angle_gamma   89.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2CoAu
_chemical_formula_sum   'Y2 Co1 Au1'
_cell_volume   86.06
_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
  Y  Y2  1  0.44  0.0  0.74  1.0
  Y  Y3  1  0.0  0.5  0.78  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.52  1.0

data_Y2CoAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.88
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   60.46
_cell_angle_beta   60.52
_cell_angle_gamma   60.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2CoAu
_chemical_formula_sum   'Y2 Co1 Au1'
_cell_volume   86.06
_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
  Y  Y0  1  0.0  0.56  0.74  1.0
  Y  Y1  1  0.5  -0.0  0.28  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.0  0.52  1.0

Y Y Co Au
Y Y Co Au 0 3 o o o 0 2 + o + 1 2 o + + 1 3 o o o 2 3 o o - 2 3 o o o 
Y2CoAu crystallizes in the triclinic P1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted linear geometry to one Co(1) and one Au(1) atom. The Y(1)-Co(1) bond length is 2.41 Å. The Y(1)-Au(1) bond length is 1.91 Å. In the second Y site, Y(2) is bonded in a linear geometry to one Co(1) and one Au(1) atom. The Y(2)-Co(1) bond length is 2.14 Å. The Y(2)-Au(1) bond length is 2.12 Å. Co(1) is bonded in a distorted see-saw-like geometry to one Y(1), one Y(2), and two equivalent Au(1) atoms. There is one shorter (2.36 Å) and one longer (2.60 Å) Co(1)-Au(1) bond length. Au(1) is bonded in a 4-coordinate geometry to one Y(1), one Y(2), and two equivalent Co(1) atoms.