data_KRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   2.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KRu3
_chemical_formula_sum   'K1 Ru3'
_cell_volume   67.74
_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
  Ru  Ru1  1  0.48  0.0  0.38  1.0
  Ru  Ru2  1  0.48  0.48  0.0  1.0
  Ru  Ru3  1  0.0  0.48  0.38  1.0

data_KRu3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.0
_cell_length_b   7.0
_cell_length_c   2.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KRu3
_chemical_formula_sum   'K2 Ru6'
_cell_volume   135.47
_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  4  0.24  0.24  0.38  1.0
  Ru  Ru2  2  0.48  0.0  0.0  1.0

K Ru Ru Ru
K Ru Ru Ru 0 1 - o - 0 1 - o o 0 1 o o - 0 1 o o o 0 3 o - - 0 3 o - o 0 3 o o - 0 3 o o o 0 0 o o + 1 2 o - o 1 2 o - + 1 2 o o o 1 2 o o + 1 1 o o + 2 3 o o - 2 3 o o o 2 3 + o - 2 3 + o o 2 2 o o + 3 3 o o + 
KRu3 crystallizes in the monoclinic Cm space group. K(1) is bonded in a 8-coordinate geometry to four equivalent Ru(2) and eight equivalent Ru(1) atoms. There are a spread of K(1)-Ru(2) bond distances ranging from 3.33-3.67 Å. There are a spread of K(1)-Ru(1) bond distances ranging from 2.58-3.11 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 2-coordinate geometry to four equivalent K(1) and four equivalent Ru(2) atoms. There are a spread of Ru(1)-Ru(2) bond distances ranging from 2.58-3.11 Å. In the second Ru site, Ru(2) is bonded in a 14-coordinate geometry to four equivalent K(1), two equivalent Ru(2), and eight equivalent Ru(1) atoms. Both Ru(2)-Ru(2) bond lengths are 2.76 Å.