data_ZrAgRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   145.02
_cell_angle_beta   128.04
_cell_angle_gamma   64.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAgRu2
_chemical_formula_sum   'Zr1 Ag1 Ru2'
_cell_volume   67.67
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.52  1.0
  Ru  Ru1  1  0.6  0.0  0.12  1.0
  Ru  Ru2  1  0.0  0.34  0.4  1.0

data_ZrAgRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.67
_cell_length_c   5.33
_cell_angle_alpha   115.98
_cell_angle_beta   107.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAgRu2
_chemical_formula_sum   'Zr1 Ag1 Ru2'
_cell_volume   67.67
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.48  0.48  0.48  1.0
  Ru  Ru2  1  0.48  0.88  0.48  1.0
  Ru  Ru3  1  0.6  0.94  0.94  1.0

Zr Ag Ru Ru
Zr Ag Ru Ru 0 3 o o o 1 2 - o o 
ZrRu2Ag crystallizes in the triclinic P1 space group. Zr(1) is bonded in a 1-coordinate geometry to two equivalent Ru(2) and one Ag(1) atom. There is one shorter (1.21 Å) and one longer (2.06 Å) Zr(1)-Ru(2) bond length. The Zr(1)-Ag(1) bond length is 2.57 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 1-coordinate geometry to two equivalent Ag(1) atoms. There is one shorter (1.85 Å) and one longer (2.82 Å) Ru(1)-Ag(1) bond length. In the second Ru site, Ru(2) is bonded in a 2-coordinate geometry to two equivalent Zr(1) and one Ag(1) atom. The Ru(2)-Ag(1) bond length is 2.36 Å. Ag(1) is bonded in a 4-coordinate geometry to one Zr(1), one Ru(2), and two equivalent Ru(1) atoms.