data_Ti2AgRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   3.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2AgRu
_chemical_formula_sum   'Ti2 Ag1 Ru1'
_cell_volume   63.28
_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
  Ti  Ti2  1  0.54  0.64  0.57  1.0
  Ti  Ti3  1  0.54  0.36  0.57  1.0
  Ag  Ag0  1  0.07  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0

data_Ti2AgRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   93.69
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2AgRu
_chemical_formula_sum   'Ti2 Ag1 Ru1'
_cell_volume   63.28
_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
  Ti  Ti0  1  0.57  0.54  0.36  1.0
  Ti  Ti1  1  0.57  0.54  0.64  1.0
  Ag  Ag2  1  0.0  0.07  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Ti Ti Ag Ru
Ti2RuAg crystallizes in the triclinic P1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to one Ti(2), two equivalent Ru(1), and two equivalent Ag(1) atoms. The Ti(1)-Ti(2) bond length is 1.26 Å. There is one shorter (2.89 Å) and one longer (3.12 Å) Ti(1)-Ru(1) bond length. There is one shorter (3.03 Å) and one longer (3.25 Å) Ti(1)-Ag(1) bond length. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one Ti(1), two equivalent Ru(1), and two equivalent Ag(1) atoms. There is one shorter (3.03 Å) and one longer (3.25 Å) Ti(2)-Ru(1) bond length. There is one shorter (2.89 Å) and one longer (3.12 Å) Ti(2)-Ag(1) bond length. Ru(1) is bonded in a single-bond geometry to two equivalent Ti(1), two equivalent Ti(2), and one Ag(1) atom. The Ru(1)-Ag(1) bond length is 0.34 Å. Ag(1) is bonded in a single-bond geometry to two equivalent Ti(1), two equivalent Ti(2), and one Ru(1) atom.