data_ScZn2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.41
_cell_angle_alpha   113.28
_cell_angle_beta   113.28
_cell_angle_gamma   39.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZn2Ru
_chemical_formula_sum   'Sc1 Zn2 Ru1'
_cell_volume   62.67
_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
  Sc  Sc1  1  0.93  0.0  0.92  1.0
  Zn  Zn2  1  0.08  0.0  0.13  1.0
  Zn  Zn3  1  0.54  0.0  0.91  1.0
  Ru  Ru0  1  0.63  0.0  0.04  1.0

data_ScZn2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.41
_cell_length_c   4.95
_cell_angle_alpha   113.28
_cell_angle_beta   109.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZn2Ru
_chemical_formula_sum   'Sc1 Zn2 Ru1'
_cell_volume   62.67
_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
  Sc  Sc0  1  0.0  0.92  0.93  1.0
  Zn  Zn1  1  0.0  0.13  0.08  1.0
  Zn  Zn2  1  0.0  0.91  0.54  1.0
  Ru  Ru3  1  0.0  0.04  0.63  1.0

Sc Zn Zn Ru
Sc Zn Zn Ru 0 1 + o + 2 3 o o + 
ScRuZn2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ScRuZn2 cluster. Sc(1) is bonded in a 2-coordinate geometry to one Ru(1) and one Zn(1) atom. The Sc(1)-Ru(1) bond length is 1.74 Å. The Sc(1)-Zn(1) bond length is 0.92 Å. Ru(1) is bonded in a distorted single-bond geometry to one Sc(1) and one Zn(2) atom. The Ru(1)-Zn(2) bond length is 0.58 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a single-bond geometry to one Sc(1) atom. In the second Zn site, Zn(2) is bonded in a single-bond geometry to one Ru(1) atom.