data_ZnFe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   145.17
_cell_angle_beta   128.82
_cell_angle_gamma   63.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFe2Ru
_chemical_formula_sum   'Zn1 Fe2 Ru1'
_cell_volume   51.67
_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
  Zn  Zn3  1  0.0  0.0  0.03  1.0
  Fe  Fe0  1  0.0  0.12  0.08  1.0
  Fe  Fe1  1  0.0  0.0  0.32  1.0
  Ru  Ru2  1  0.0  0.12  0.08  1.0

data_ZnFe2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.23
_cell_length_c   4.9
_cell_angle_alpha   115.59
_cell_angle_beta   107.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFe2Ru
_chemical_formula_sum   'Zn1 Fe2 Ru1'
_cell_volume   51.67
_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
  Zn  Zn0  1  0.97  0.97  0.97  1.0
  Fe  Fe1  1  0.68  0.68  0.68  1.0
  Fe  Fe2  1  0.92  0.04  0.04  1.0
  Ru  Ru3  1  0.92  0.04  0.04  1.0

Zn Fe Fe Ru 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o o 
RuFe2Zn crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one RuFe2Zn cluster. Ru(1) is bonded in a single-bond geometry to one Fe(1) atom. The Ru(1)-Fe(1) bond length is 0.00 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted bent 120 degrees geometry to one Ru(1) and one Zn(1) atom. The Fe(1)-Zn(1) bond length is 0.39 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Zn(1) atom. The Fe(2)-Zn(1) bond length is 1.42 Å. Zn(1) is bonded in a distorted single-bond geometry to one Fe(1) and one Fe(2) atom.