data_SrRuAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrRuAu3
_chemical_formula_sum   'Sr1 Ru1 Au3'
_cell_volume   132.57
_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
  Sr  Sr4  1  0.0  0.0  0.0  1.0
  Ru  Ru0  1  0.55  0.55  0.55  1.0
  Au  Au1  1  0.55  0.0  0.55  1.0
  Au  Au2  1  0.55  0.55  0.0  1.0
  Au  Au3  1  0.0  0.55  0.55  1.0

data_SrRuAu3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.21
_cell_length_b   7.21
_cell_length_c   8.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrRuAu3
_chemical_formula_sum   'Sr3 Ru3 Au9'
_cell_volume   397.71
_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
  Sr  Sr0  3  0.0  0.0  0.0  1.0
  Ru  Ru1  3  0.0  0.0  0.55  1.0
  Au  Au2  9  0.18  0.37  0.37  1.0

Sr Ru Au Au Au
SrRuAu3 is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Sr(1) is bonded to twelve equivalent Au(1) atoms to form distorted SrAu12 cuboctahedra that share corners with twelve equivalent Sr(1)Au12 cuboctahedra, faces with six equivalent Sr(1)Au12 cuboctahedra, and faces with eight equivalent Ru(1)Au6 octahedra. There are a spread of Sr(1)-Au(1) bond distances ranging from 3.25-3.96 Å. Ru(1) is bonded to six equivalent Au(1) atoms to form RuAu6 octahedra that share corners with six equivalent Ru(1)Au6 octahedra and faces with eight equivalent Sr(1)Au12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three shorter (2.30 Å) and three longer (2.80 Å) Ru(1)-Au(1) bond lengths. Au(1) is bonded in a 1-coordinate geometry to four equivalent Sr(1) and two equivalent Ru(1) atoms.