data_YRuAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.7
_cell_length_b   9.7
_cell_length_c   9.7
_cell_angle_alpha   18.07
_cell_angle_beta   18.07
_cell_angle_gamma   18.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YRuAu2
_chemical_formula_sum   'Y1 Ru1 Au2'
_cell_volume   76.69
_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  Y3  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.0  0.31  1.0
  Au  Au0  1  0.0  0.0  0.02  1.0
  Au  Au1  1  0.0  0.0  0.6  1.0

data_YRuAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.28
_cell_length_b   3.05
_cell_length_c   9.7
_cell_angle_alpha   90.0
_cell_angle_beta   100.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YRuAu2
_chemical_formula_sum   'Y2 Ru2 Au4'
_cell_volume   153.38
_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
  Y  Y0  2  0.0  0.0  0.0  1.0
  Ru  Ru1  2  0.0  0.0  0.69  1.0
  Au  Au2  2  0.0  0.0  0.98  1.0
  Au  Au3  2  0.0  0.0  0.4  1.0

Y Ru Au Au
Y Ru Au Au 0 2 o o o 0 1 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 2 o o o 1 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 
YRuAu2 crystallizes in the monoclinic Cm space group. Y(1) is bonded in a single-bond geometry to one Au(1) and one Au(2) atom. The Y(1)-Au(1) bond length is 0.15 Å. The Y(1)-Au(2) bond length is 3.84 Å. Ru(1) is bonded in a distorted linear geometry to one Au(1) and one Au(2) atom. The Ru(1)-Au(1) bond length is 2.86 Å. The Ru(1)-Au(2) bond length is 2.86 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a single-bond geometry to one Y(1) and one Ru(1) atom. In the second Au site, Au(2) is bonded to one Y(1), one Ru(1), and six equivalent Au(2) atoms to form a mixture of distorted edge and corner-sharing AuYRuAu6 hexagonal bipyramids. All Au(2)-Au(2) bond lengths are 3.05 Å.