data_Ru2AuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   8.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ru2AuCl
_chemical_formula_sum   'Ru2 Au1 Cl1'
_cell_volume   66.57
_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
  Ru  Ru2  1  0.44  0.44  0.14  1.0
  Ru  Ru3  1  0.0  0.0  0.73  1.0
  Au  Au0  1  0.44  0.44  0.75  1.0
  Cl  Cl1  1  0.0  0.0  0.46  1.0

data_Ru2AuCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   8.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ru2AuCl
_chemical_formula_sum   'Ru4 Au2 Cl2'
_cell_volume   133.15
_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
  Ru  Ru0  2  0.0  0.0  0.73  1.0
  Ru  Ru1  2  0.44  0.0  0.14  1.0
  Au  Au2  2  0.44  0.0  0.75  1.0
  Cl  Cl3  2  0.0  0.0  0.46  1.0

Ru Ru Au Cl
Ru Ru Au Cl 0 3 o o o 0 3 o + o 0 3 + o o 0 3 + + o 0 0 + o o 0 0 o + o 0 2 o o - 1 2 - - o 1 2 - o o 1 2 o - o 1 2 o o o 1 3 o o o 
Ru2AuCl crystallizes in the monoclinic Cm space group. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 6-coordinate geometry to four equivalent Ru(1), one Au(1), and one Cl(1) atom. All Ru(1)-Ru(1) bond lengths are 2.88 Å. The Ru(1)-Au(1) bond length is 3.14 Å. The Ru(1)-Cl(1) bond length is 3.11 Å. In the second Ru site, Ru(2) is bonded to four equivalent Au(1) and one Cl(1) atom to form a mixture of distorted corner and edge-sharing RuAu4Cl square pyramids. There are a spread of Ru(2)-Au(1) bond distances ranging from 1.79-2.30 Å. The Ru(2)-Cl(1) bond length is 2.14 Å. Au(1) is bonded in a 4-coordinate geometry to one Ru(1) and four equivalent Ru(2) atoms. Cl(1) is bonded in a single-bond geometry to one Ru(1) and one Ru(2) atom.