data_AgRu4Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgRu4Au
_chemical_formula_sum   'Ag1 Ru4 Au1'
_cell_volume   97.15
_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
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.74  0.74  0.56  1.0
  Ru  Ru3  1  0.74  0.56  0.74  1.0
  Ru  Ru4  1  0.56  0.74  0.74  1.0
  Ru  Ru5  1  0.56  0.56  0.56  1.0
  Au  Au1  1  0.82  0.82  0.82  1.0

data_AgRu4Au
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   12.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AgRu4Au
_chemical_formula_sum   'Ag3 Ru12 Au3'
_cell_volume   291.44
_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
  Ag  Ag0  3  0.0  0.0  0.0  1.0
  Ru  Ru1  9  0.12  0.06  0.32  1.0
  Ru  Ru2  3  0.0  0.0  0.44  1.0
  Au  Au3  3  0.0  0.0  0.18  1.0

Ag Ru Ru Ru Ru Au
Ag Ru Ru Ru Ru Au 0 5 - - - 0 1 - - o 0 2 - o - 0 3 o - - 1 2 o o o 1 3 o o o 1 4 o o o 1 5 o o o 2 3 o o o 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 
Ru4AuAg crystallizes in the trigonal R3m space group. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 5-coordinate geometry to one Ru(2), two equivalent Ru(1), one Au(1), and one Ag(1) atom. The Ru(1)-Ru(2) bond length is 1.57 Å. Both Ru(1)-Ru(1) bond lengths are 0.91 Å. The Ru(1)-Au(1) bond length is 1.92 Å. The Ru(1)-Ag(1) bond length is 2.46 Å. In the second Ru site, Ru(2) is bonded in a 6-coordinate geometry to three equivalent Ru(1) and three equivalent Au(1) atoms. All Ru(2)-Au(1) bond lengths are 3.11 Å. Au(1) is bonded in a 7-coordinate geometry to three equivalent Ru(1), three equivalent Ru(2), and one Ag(1) atom. The Au(1)-Ag(1) bond length is 2.22 Å. Ag(1) is bonded in a trigonal pyramidal geometry to three equivalent Ru(1) and one Au(1) atom.