data_Y2IrAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2IrAu
_chemical_formula_sum   'Y2 Ir1 Au1'
_cell_volume   82.03
_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  0.72  0.72  0.72  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.45  0.45  0.45  1.0
  Au  Au0  1  0.17  0.17  0.17  1.0

data_Y2IrAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   11.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Y2IrAu
_chemical_formula_sum   'Y6 Ir3 Au3'
_cell_volume   246.09
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Y  Y1  3  0.0  0.0  0.28  1.0
  Ir  Ir2  3  0.0  0.0  0.55  1.0
  Au  Au3  3  0.0  0.0  0.83  1.0

Y Y Ir Au
Y2IrAu crystallizes in the trigonal R3m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to four equivalent Ir(1) and three equivalent Au(1) atoms. There are three shorter (2.90 Å) and one longer (3.29 Å) Y(1)-Ir(1) bond length. All Y(1)-Au(1) bond lengths are 3.13 Å. In the second Y site, Y(2) is bonded in a single-bond geometry to three equivalent Ir(1) and one Au(1) atom. All Y(2)-Ir(1) bond lengths are 3.13 Å. The Y(2)-Au(1) bond length is 2.07 Å. Ir(1) is bonded in a 11-coordinate geometry to three equivalent Y(2), four equivalent Y(1), and four equivalent Au(1) atoms. There are three shorter (2.90 Å) and one longer (3.29 Å) Ir(1)-Au(1) bond length. Au(1) is bonded in a single-bond geometry to one Y(2), three equivalent Y(1), and four equivalent Ir(1) atoms.