data_SrRu2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   7.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrRu2Au
_chemical_formula_sum   'Sr1 Ru2 Au1'
_cell_volume   79.0
_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  Sr3  1  0.0  0.0  0.77  1.0
  Ru  Ru1  1  0.0  0.0  0.24  1.0
  Ru  Ru2  1  0.61  0.61  0.39  1.0
  Au  Au0  1  0.61  0.61  0.04  1.0

data_SrRu2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   7.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrRu2Au
_chemical_formula_sum   'Sr2 Ru4 Au2'
_cell_volume   158.01
_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
  Sr  Sr0  2  0.0  0.0  0.77  1.0
  Ru  Ru1  2  0.0  0.0  0.24  1.0
  Ru  Ru2  2  0.11  0.5  0.39  1.0
  Au  Au3  2  0.11  0.5  0.04  1.0

Sr Ru Ru Au
Sr Ru Ru Au 0 2 - - o 0 3 - - + 0 3 - o + 0 3 o - + 0 3 o o + 0 0 + o o 0 0 o + o 0 1 o o + 1 3 - - o 1 3 o o o 1 3 o - o 1 3 - o o 1 2 - - o 1 2 - o o 1 2 o - o 2 3 o o o 
SrRu2Au crystallizes in the monoclinic Cm space group. Sr(1) is bonded in a 1-coordinate geometry to four equivalent Ru(2) and one Au(1) atom. There are a spread of Sr(1)-Ru(2) bond distances ranging from 3.42-4.03 Å. The Sr(1)-Au(1) bond length is 2.72 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 1-coordinate geometry to four equivalent Ru(2) and one Au(1) atom. There are a spread of Ru(1)-Ru(2) bond distances ranging from 2.11-3.00 Å. The Ru(1)-Au(1) bond length is 2.33 Å. In the second Ru site, Ru(2) is bonded in a 13-coordinate geometry to four equivalent Sr(1), four equivalent Ru(1), four equivalent Ru(2), and one Au(1) atom. All Ru(2)-Ru(2) bond lengths are 3.22 Å. The Ru(2)-Au(1) bond length is 2.64 Å. Au(1) is bonded in a 2-coordinate geometry to one Sr(1), one Ru(1), and one Ru(2) atom.