data_KFeRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.68
_cell_length_b   2.68
_cell_length_c   9.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KFeRu2
_chemical_formula_sum   'K1 Fe1 Ru2'
_cell_volume   66.06
_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  K1  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.0  0.0  0.58  1.0
  Ru  Ru2  1  0.34  0.34  0.89  1.0
  Ru  Ru3  1  0.34  0.34  0.27  1.0

data_KFeRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.8
_cell_length_b   3.8
_cell_length_c   9.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KFeRu2
_chemical_formula_sum   'K2 Fe2 Ru4'
_cell_volume   132.11
_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
  Fe  Fe1  2  0.0  0.0  0.58  1.0
  Ru  Ru2  2  0.34  0.0  0.27  1.0
  Ru  Ru3  2  0.34  0.0  0.89  1.0

K Fe Ru Ru
KRu2Fe crystallizes in the monoclinic Cm space group. K(1) is bonded in a distorted single-bond geometry to one Ru(1) and one Ru(2) atom. The K(1)-Ru(1) bond length is 1.62 Å. The K(1)-Ru(2) bond length is 2.79 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a distorted single-bond geometry to one K(1) and three equivalent Fe(1) atoms. There is one shorter (3.15 Å) and two longer (3.49 Å) Ru(1)-Fe(1) bond lengths. In the second Ru site, Ru(2) is bonded in a distorted single-bond geometry to one K(1) and three equivalent Fe(1) atoms. There is one shorter (3.15 Å) and two longer (3.49 Å) Ru(2)-Fe(1) bond lengths. Fe(1) is bonded in a 10-coordinate geometry to three equivalent Ru(1), three equivalent Ru(2), and four equivalent Fe(1) atoms. All Fe(1)-Fe(1) bond lengths are 2.68 Å.