data_SrFeRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   118.74
_cell_angle_beta   118.74
_cell_angle_gamma   92.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFeRu2
_chemical_formula_sum   'Sr1 Fe1 Ru2'
_cell_volume   67.17
_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
  Sr  Sr3  1  0.0  0.31  0.57  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.31  0.0  0.57  1.0
  Ru  Ru2  1  0.0  0.0  0.14  1.0

data_SrFeRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   92.2
_cell_angle_beta   118.74
_cell_angle_gamma   118.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFeRu2
_chemical_formula_sum   'Sr1 Fe1 Ru2'
_cell_volume   67.17
_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
  Sr  Sr0  1  0.57  0.0  0.31  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.14  0.0  0.0  1.0
  Ru  Ru3  1  0.57  0.31  0.0  1.0

Sr Fe Ru Ru
Sr Fe Ru Ru 0 3 o o o 0 2 o o o 1 3 o o o 2 3 o o o 
SrRu2Fe is Copper structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one SrRu2Fe cluster. Sr(1) is bonded in a 2-coordinate geometry to one Ru(1) and one Ru(2) atom. The Sr(1)-Ru(1) bond length is 2.03 Å. The Sr(1)-Ru(2) bond length is 1.77 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 1-coordinate geometry to one Sr(1) atom. In the second Ru site, Ru(2) is bonded in a 2-coordinate geometry to one Sr(1) and one Fe(1) atom. The Ru(2)-Fe(1) bond length is 0.66 Å. Fe(1) is bonded in a single-bond geometry to one Ru(2) atom.