data_ZrSnRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSnRu2
_chemical_formula_sum   'Zr1 Sn1 Ru2'
_cell_volume   68.85
_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  0.0  1.0
  Sn  Sn2  1  0.0  0.0  0.17  1.0
  Ru  Ru0  1  0.65  0.65  0.6  1.0
  Ru  Ru1  1  0.65  0.65  0.74  1.0

data_ZrSnRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrSnRu2
_chemical_formula_sum   'Zr2 Sn2 Ru4'
_cell_volume   137.69
_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  0.0  0.0  0.0  1.0
  Sn  Sn1  2  0.0  0.0  0.17  1.0
  Ru  Ru2  2  0.15  0.5  0.6  1.0
  Ru  Ru3  2  0.15  0.5  0.74  1.0

Zr Sn Ru Ru
Zr Sn Ru Ru 0 1 o o o 2 3 o o o 
ZrRu2Sn crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ZrRu2Sn clusters. Zr(1) is bonded in a distorted single-bond geometry to one Ru(2) and one Sn(1) atom. The Zr(1)-Ru(2) bond length is 2.34 Å. The Zr(1)-Sn(1) bond length is 1.08 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a single-bond geometry to one Ru(2) atom. The Ru(1)-Ru(2) bond length is 0.84 Å. In the second Ru site, Ru(2) is bonded in a 2-coordinate geometry to one Zr(1) and one Ru(1) atom. Sn(1) is bonded in a single-bond geometry to one Zr(1) atom.