data_ZrIn2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.01
_cell_angle_alpha   105.38
_cell_angle_beta   105.38
_cell_angle_gamma   36.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrIn2Ru
_chemical_formula_sum   'Zr1 In2 Ru1'
_cell_volume   79.85
_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
  In  In0  1  0.27  0.0  0.3  1.0
  In  In1  1  0.31  0.0  0.51  1.0
  Ru  Ru2  1  0.29  0.0  0.41  1.0

data_ZrIn2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.01
_cell_length_c   5.26
_cell_angle_alpha   105.38
_cell_angle_beta   108.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrIn2Ru
_chemical_formula_sum   'Zr1 In2 Ru1'
_cell_volume   79.85
_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  Zr0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.3  0.27  1.0
  In  In2  1  0.0  0.51  0.31  1.0
  Ru  Ru3  1  0.0  0.41  0.29  1.0

Zr In In Ru
Zr In In Ru 0 1 o o o 1 3 o o o 2 3 o o o 
ZrRuIn2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ZrRuIn2 cluster. Zr(1) is bonded in a distorted single-bond geometry to one In(1) atom. The Zr(1)-In(1) bond length is 1.80 Å. Ru(1) is bonded in a linear geometry to one In(1) and one In(2) atom. The Ru(1)-In(1) bond length is 0.50 Å. The Ru(1)-In(2) bond length is 0.50 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a distorted bent 150 degrees geometry to one Zr(1) and one Ru(1) atom. In the second In site, In(2) is bonded in a single-bond geometry to one Ru(1) atom.