data_KRuAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   120.94
_cell_angle_beta   120.94
_cell_angle_gamma   88.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KRuAu2
_chemical_formula_sum   'K1 Ru1 Au2'
_cell_volume   83.41
_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
  K  K2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.53  1.0
  Au  Au0  1  0.0  0.43  0.77  1.0
  Au  Au1  1  0.43  0.0  0.77  1.0

data_KRuAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.87
_cell_length_b   6.87
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   134.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KRuAu2
_chemical_formula_sum   'K2 Ru2 Au4'
_cell_volume   166.82
_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
  K  K0  2  0.0  0.0  0.0  1.0
  Ru  Ru1  2  0.0  0.0  0.53  1.0
  Au  Au2  4  0.29  0.29  0.34  1.0

K Ru Au Au
K Ru Au Au 0 2 o o - 0 2 o - - 0 3 - o - 0 3 o o - 0 1 o o - 0 1 o o o 1 2 o o o 1 3 o o o 
KRuAu2 crystallizes in the monoclinic Cm space group. K(1) is bonded in a 4-coordinate geometry to two equivalent Ru(1) and two equivalent Au(1) atoms. There is one shorter (2.30 Å) and one longer (2.63 Å) K(1)-Ru(1) bond length. Both K(1)-Au(1) bond lengths are 2.43 Å. Ru(1) is bonded in a distorted see-saw-like geometry to two equivalent K(1) and two equivalent Au(1) atoms. Both Ru(1)-Au(1) bond lengths are 1.81 Å. Au(1) is bonded in a distorted linear geometry to one K(1) and one Ru(1) atom.