data_YAu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAu5
_chemical_formula_sum   'Y1 Au5'
_cell_volume   117.3
_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  Y5  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.45  0.0  0.52  1.0
  Au  Au1  1  0.87  0.51  0.52  1.0
  Au  Au2  1  0.28  0.99  0.52  1.0
  Au  Au3  1  0.59  0.5  0.0  1.0
  Au  Au4  1  0.0  0.99  0.0  1.0

data_YAu5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.04
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAu5
_chemical_formula_sum   'Y1 Au5'
_cell_volume   117.3
_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  0.0  0.0  1.0
  Au  Au1  1  0.0  -0.0  0.99  1.0
  Au  Au2  1  0.0  0.59  0.5  1.0
  Au  Au3  1  0.52  0.28  0.99  1.0
  Au  Au4  1  0.52  0.45  0.0  1.0
  Au  Au5  1  0.52  0.87  0.51  1.0

Y Au Au Au Au Au
Y Au Au Au Au Au 0 5 o - o 0 4 o o o 0 4 - - o 1 3 o - o 1 2 o o o 1 2 - - o 2 4 o o o 2 4 o o + 2 3 o - o 2 3 + o o 4 5 o - o 4 5 + o o 
YAu5 crystallizes in the triclinic P1 space group. Y(1) is bonded in a single-bond geometry to one Au(2), one Au(4), and one Au(5) atom. The Y(1)-Au(2) bond length is 3.88 Å. The Y(1)-Au(4) bond length is 2.86 Å. The Y(1)-Au(5) bond length is 0.03 Å. There are five inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted single-bond geometry to one Au(2) and one Au(3) atom. The Au(1)-Au(2) bond length is 2.44 Å. The Au(1)-Au(3) bond length is 0.85 Å. In the second Au site, Au(2) is bonded in a 5-coordinate geometry to one Y(1), one Au(1), one Au(3), and two equivalent Au(4) atoms. The Au(2)-Au(3) bond length is 2.32 Å. There is one shorter (2.81 Å) and one longer (2.96 Å) Au(2)-Au(4) bond length. In the third Au site, Au(3) is bonded in a distorted single-bond geometry to one Au(1) and one Au(2) atom. In the fourth Au site, Au(4) is bonded in a 4-coordinate geometry to one Y(1), one Au(5), and two equivalent Au(2) atoms. The Au(4)-Au(5) bond length is 2.38 Å. In the fifth Au site, Au(5) is bonded in a single-bond geometry to one Y(1) and one Au(4) atom.