data_Y2PtAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2PtAu
_chemical_formula_sum   'Y2 Pt1 Au1'
_cell_volume   82.59
_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  0.18  0.18  0.18  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.46  0.46  0.46  1.0
  Au  Au0  1  0.73  0.73  0.73  1.0

data_Y2PtAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   11.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Y2PtAu
_chemical_formula_sum   'Y6 Pt3 Au3'
_cell_volume   247.78
_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  0.82  1.0
  Pt  Pt2  3  0.0  0.0  0.54  1.0
  Au  Au3  3  0.0  0.0  0.27  1.0

Y Y Pt Au
Y2PtAu crystallizes in the trigonal R3m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one Y(2), four equivalent Pt(1), and three equivalent Au(1) atoms. The Y(1)-Y(2) bond length is 2.21 Å. There are three shorter (2.92 Å) and one longer (3.25 Å) Y(1)-Pt(1) bond length. All Y(1)-Au(1) bond lengths are 3.18 Å. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one Y(1), three equivalent Pt(1), and four equivalent Au(1) atoms. All Y(2)-Pt(1) bond lengths are 3.18 Å. There are three shorter (2.92 Å) and one longer (3.25 Å) Y(2)-Au(1) bond length. Pt(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 (2.92 Å) and one longer (3.25 Å) Pt(1)-Au(1) bond length. Au(1) is bonded in a 11-coordinate geometry to three equivalent Y(1), four equivalent Y(2), and four equivalent Pt(1) atoms.