data_NaFeRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   7.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaFeRu2
_chemical_formula_sum   'Na1 Fe1 Ru2'
_cell_volume   62.75
_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
  Na  Na1  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.0  0.0  0.7  1.0
  Ru  Ru2  1  0.46  0.46  0.36  1.0
  Ru  Ru3  1  0.46  0.46  0.05  1.0

data_NaFeRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   7.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaFeRu2
_chemical_formula_sum   'Na2 Fe2 Ru4'
_cell_volume   125.5
_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
  Na  Na0  2  0.0  0.0  0.0  1.0
  Fe  Fe1  2  0.0  0.0  0.7  1.0
  Ru  Ru2  2  0.46  0.0  0.05  1.0
  Ru  Ru3  2  0.46  0.0  0.36  1.0

Na Fe Ru Ru
NaRu2Fe crystallizes in the monoclinic Cm space group. Na(1) is bonded to four equivalent Ru(2) and one Fe(1) atom to form a mixture of distorted edge and corner-sharing NaFeRu4 square pyramids. There are a spread of Na(1)-Ru(2) bond distances ranging from 1.91-2.27 Å. The Na(1)-Fe(1) bond length is 2.19 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 9-coordinate geometry to one Ru(2), four equivalent Ru(1), and four equivalent Fe(1) atoms. The Ru(1)-Ru(2) bond length is 2.32 Å. All Ru(1)-Ru(1) bond lengths are 2.91 Å. There are a spread of Ru(1)-Fe(1) bond distances ranging from 3.16-3.39 Å. In the second Ru site, Ru(2) is bonded in a 4-coordinate geometry to four equivalent Na(1) and one Ru(1) atom. Fe(1) is bonded in a single-bond geometry to one Na(1) and four equivalent Ru(1) atoms.