data_Sr2FeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   3.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2FeRu
_chemical_formula_sum   'Sr2 Fe1 Ru1'
_cell_volume   100.44
_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  Sr2  1  0.6  0.0  0.85  1.0
  Sr  Sr3  1  0.0  0.6  0.85  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.6  0.6  0.0  1.0

data_Sr2FeRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.36
_cell_length_b   7.36
_cell_length_c   3.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2FeRu
_chemical_formula_sum   'Sr4 Fe2 Ru2'
_cell_volume   200.87
_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
  Sr  Sr0  4  0.3  0.3  0.85  1.0
  Fe  Fe1  2  0.0  0.0  0.0  1.0
  Ru  Ru2  2  0.1  0.5  -0.0  1.0

Sr Sr Fe Ru
Sr Sr Fe Ru 0 3 o - + 0 2 + o + 1 3 - o + 1 2 o + + 
Sr2RuFe crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Sr2RuFe clusters. Sr(1) is bonded in a distorted L-shaped geometry to one Ru(1) and one Fe(1) atom. The Sr(1)-Ru(1) bond length is 2.14 Å. The Sr(1)-Fe(1) bond length is 2.14 Å. Ru(1) is bonded in a distorted L-shaped geometry to two equivalent Sr(1) atoms. Fe(1) is bonded in a distorted L-shaped geometry to two equivalent Sr(1) atoms.