data_ZrFeRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   131.81
_cell_angle_beta   131.81
_cell_angle_gamma   70.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFeRu2
_chemical_formula_sum   'Zr1 Fe1 Ru2'
_cell_volume   59.84
_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
  Zr  Zr3  1  0.0  0.0  0.91  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.96  0.0  0.96  1.0
  Ru  Ru2  1  0.0  0.96  0.96  1.0

data_ZrFeRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   125.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrFeRu2
_chemical_formula_sum   'Zr2 Fe2 Ru4'
_cell_volume   119.68
_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
  Zr  Zr0  2  0.09  0.0  0.09  1.0
  Fe  Fe1  2  0.0  0.0  0.0  1.0
  Ru  Ru2  4  0.02  0.02  0.0  1.0

Zr Fe Ru Ru
ZrRu2Fe crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ZrRu2Fe clusters. Zr(1) is bonded in a 2-coordinate geometry to two equivalent Ru(1) atoms. Both Zr(1)-Ru(1) bond lengths are 0.39 Å. Ru(1) is bonded in a distorted L-shaped geometry to one Zr(1) and one Fe(1) atom. The Ru(1)-Fe(1) bond length is 0.17 Å. Fe(1) is bonded in an L-shaped geometry to two equivalent Ru(1) atoms.