data_BaFeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   7.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaFeRu
_chemical_formula_sum   'Ba1 Fe1 Ru1'
_cell_volume   67.32
_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
  Ba  Ba0  1  0.6  0.93  0.01  1.0
  Fe  Fe1  1  0.0  0.0  0.5  1.0
  Ru  Ru2  1  0.0  0.85  0.04  1.0

data_BaFeRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   7.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaFeRu
_chemical_formula_sum   'Ba1 Fe1 Ru1'
_cell_volume   67.32
_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
  Ba  Ba0  1  0.6  0.93  0.01  1.0
  Fe  Fe1  1  0.0  0.0  0.5  1.0
  Ru  Ru2  1  0.0  0.85  0.04  1.0

Ba Fe Ru
BaRuFe crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 2-coordinate geometry to two equivalent Ru(1) and one Fe(1) atom. There is one shorter (1.43 Å) and one longer (1.85 Å) Ba(1)-Ru(1) bond length. The Ba(1)-Fe(1) bond length is 3.99 Å. Ru(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1) and one Fe(1) atom. The Ru(1)-Fe(1) bond length is 3.50 Å. Fe(1) is bonded in a 8-coordinate geometry to one Ba(1), one Ru(1), and six equivalent Fe(1) atoms. All Fe(1)-Fe(1) bond lengths are 3.21 Å.