data_KNa2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   5.14
_cell_length_c   7.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNa2Ru
_chemical_formula_sum   'K1 Na2 Ru1'
_cell_volume   100.66
_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  K0  1  0.0  0.0  0.0  1.0
  Na  Na1  1  0.4  0.57  0.15  1.0
  Na  Na2  1  0.4  0.57  0.85  1.0
  Ru  Ru3  1  0.0  0.0  0.5  1.0

data_KNa2Ru
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.8
_cell_length_b   7.0
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   KNa2Ru
_chemical_formula_sum   'K1 Na2 Ru1'
_cell_volume   100.66
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  K0  1  0.0  0.0  0.0  1.0
  Na  Na1  2  0.4  0.15  0.57  1.0
  Ru  Ru2  1  0.0  0.5  0.0  1.0

K Na Na Ru
K Na Na Ru 0 2 - - - 0 2 o - - 0 2 o o - 0 1 - - o 0 1 o - o 0 1 o o o 0 0 + o o 0 3 o o o 0 3 o o - 1 2 o o - 1 3 o + o 2 3 o + o 3 3 + o o 
KNa2Ru crystallizes in the triclinic P1 space group. K(1) is bonded to two equivalent K(1), four equivalent Na(1), four equivalent Na(2), and two equivalent Ru(1) atoms to form a mixture of distorted corner, edge, and face-sharing KK2Na8Ru2 cuboctahedra. Both K(1)-K(1) bond lengths are 2.80 Å. There are a spread of K(1)-Na(1) bond distances ranging from 2.71-3.54 Å. There are a spread of K(1)-Na(2) bond distances ranging from 2.70-3.53 Å. There is one shorter (3.49 Å) and one longer (3.51 Å) K(1)-Ru(1) bond length. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 3-coordinate geometry to four equivalent K(1), one Na(2), and two equivalent Ru(1) atoms. The Na(1)-Na(2) bond length is 2.14 Å. There is one shorter (3.48 Å) and one longer (3.70 Å) Na(1)-Ru(1) bond length. In the second Na site, Na(2) is bonded in a 3-coordinate geometry to four equivalent K(1), one Na(1), and two equivalent Ru(1) atoms. There is one shorter (3.48 Å) and one longer (3.70 Å) Na(2)-Ru(1) bond length. Ru(1) is bonded in a 8-coordinate geometry to two equivalent K(1), two equivalent Na(1), two equivalent Na(2), and two equivalent Ru(1) atoms. Both Ru(1)-Ru(1) bond lengths are 2.80 Å.