data_Ti2AsRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   3.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2AsRu
_chemical_formula_sum   'Ti2 As1 Ru1'
_cell_volume   60.83
_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  0.35  0.19  0.55  1.0
  Ti  Ti3  1  0.35  0.81  0.55  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.71  0.0  0.0  1.0

data_Ti2AsRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.52
_cell_length_c   4.52
_cell_angle_alpha   106.37
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2AsRu
_chemical_formula_sum   'Ti2 As1 Ru1'
_cell_volume   60.83
_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  0.55  0.35  0.19  1.0
  Ti  Ti1  1  0.55  0.35  0.81  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  -0.0  0.71  0.0  1.0

Ti Ti As Ru
Ti2RuAs crystallizes in the triclinic P1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to two equivalent Ti(2), two equivalent Ru(1), and two equivalent As(1) atoms. There is one shorter (1.72 Å) and one longer (2.80 Å) Ti(1)-Ti(2) bond length. There is one shorter (2.45 Å) and one longer (2.65 Å) Ti(1)-Ru(1) bond length. There is one shorter (2.11 Å) and one longer (2.34 Å) Ti(1)-As(1) bond length. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to two equivalent Ti(1), two equivalent Ru(1), and two equivalent As(1) atoms. There is one shorter (2.11 Å) and one longer (2.34 Å) Ti(2)-Ru(1) bond length. There is one shorter (2.45 Å) and one longer (2.65 Å) Ti(2)-As(1) bond length. Ru(1) is bonded in a 5-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), and one As(1) atom. The Ru(1)-As(1) bond length is 1.32 Å. As(1) is bonded in a 5-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), and one Ru(1) atom.