data_Zn2RuAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   2.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2RuAu
_chemical_formula_sum   'Zn2 Ru1 Au1'
_cell_volume   59.87
_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
  Zn  Zn2  1  0.45  0.75  0.48  1.0
  Zn  Zn3  1  0.45  0.25  0.48  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.9  0.0  0.0  1.0

data_Zn2RuAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   100.52
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2RuAu
_chemical_formula_sum   'Zn2 Ru1 Au1'
_cell_volume   59.87
_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
  Zn  Zn0  1  0.48  0.45  0.25  1.0
  Zn  Zn1  1  0.48  0.45  0.75  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.9  0.0  1.0

Zn Zn Ru Au
RuAuZn2 crystallizes in the triclinic P1 space group. Ru(1) is bonded in a single-bond geometry to one Au(1), two equivalent Zn(1), and two equivalent Zn(2) atoms. The Ru(1)-Au(1) bond length is 0.43 Å. There is one shorter (2.89 Å) and one longer (2.97 Å) Ru(1)-Zn(1) bond length. There is one shorter (2.58 Å) and one longer (2.66 Å) Ru(1)-Zn(2) bond length. Au(1) is bonded in a single-bond geometry to one Ru(1), two equivalent Zn(1), and two equivalent Zn(2) atoms. There is one shorter (2.58 Å) and one longer (2.66 Å) Au(1)-Zn(1) bond length. There is one shorter (2.89 Å) and one longer (2.97 Å) Au(1)-Zn(2) bond length. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 8-coordinate geometry to two equivalent Ru(1), two equivalent Au(1), two equivalent Zn(1), and two equivalent Zn(2) atoms. Both Zn(1)-Zn(1) bond lengths are 2.95 Å. There is one shorter (2.24 Å) and one longer (2.30 Å) Zn(1)-Zn(2) bond length. In the second Zn site, Zn(2) is bonded in a 6-coordinate geometry to two equivalent Ru(1), two equivalent Au(1), and two equivalent Zn(1) atoms.