data_NiSn2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   6.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSn2Ru
_chemical_formula_sum   'Ni1 Sn2 Ru1'
_cell_volume   66.2
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.62  0.62  0.79  1.0
  Sn  Sn3  1  0.62  0.62  0.54  1.0
  Ru  Ru1  1  0.0  0.0  0.17  1.0

data_NiSn2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   6.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiSn2Ru
_chemical_formula_sum   'Ni2 Sn4 Ru2'
_cell_volume   132.4
_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
  Ni  Ni0  2  0.0  0.0  0.0  1.0
  Sn  Sn1  2  0.12  0.5  0.54  1.0
  Sn  Sn2  2  0.12  0.5  0.79  1.0
  Ru  Ru3  2  0.0  0.0  0.17  1.0

Ni Sn Sn Ru
RuNiSn2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two RuNiSn2 clusters. Ru(1) is bonded in a single-bond geometry to one Ni(1) atom. The Ru(1)-Ni(1) bond length is 1.05 Å. Ni(1) is bonded in a distorted single-bond geometry to one Ru(1) and one Sn(1) atom. The Ni(1)-Sn(1) bond length is 2.19 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 2-coordinate geometry to one Ni(1) and one Sn(2) atom. The Sn(1)-Sn(2) bond length is 1.60 Å. In the second Sn site, Sn(2) is bonded in a 1-coordinate geometry to one Sn(1) atom.