data_Ti2AgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   8.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2AgIr
_chemical_formula_sum   'Ti2 Ag1 Ir1'
_cell_volume   66.06
_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  0.0  0.0  0.11  1.0
  Ti  Ti3  1  0.6  0.0  0.84  1.0
  Ag  Ag0  1  0.0  0.0  0.47  1.0
  Ir  Ir1  1  0.6  0.0  0.05  1.0

data_Ti2AgIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   8.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2AgIr
_chemical_formula_sum   'Ti2 Ag1 Ir1'
_cell_volume   66.06
_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  0.0  0.0  0.11  1.0
  Ti  Ti1  1  0.6  0.0  0.84  1.0
  Ag  Ag2  1  0.0  0.0  0.47  1.0
  Ir  Ir3  1  0.6  0.0  0.05  1.0

Ti Ti Ag Ir
Ti Ti Ag Ir 0 3 - o o 0 2 o o o 1 3 o o + 2 2 + + o 2 2 o + o 2 2 + o o 
Ti2IrAg crystallizes in the triclinic P1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Ir(1) and one Ag(1) atom. There is one shorter (1.21 Å) and one longer (1.75 Å) Ti(1)-Ir(1) bond length. The Ti(1)-Ag(1) bond length is 3.30 Å. In the second Ti site, Ti(2) is bonded in a single-bond geometry to one Ir(1) and two equivalent Ag(1) atoms. The Ti(2)-Ir(1) bond length is 1.94 Å. There is one shorter (3.46 Å) and one longer (3.68 Å) Ti(2)-Ag(1) bond length. Ir(1) is bonded in a 3-coordinate geometry to one Ti(2) and two equivalent Ti(1) atoms. Ag(1) is bonded in a 9-coordinate geometry to one Ti(1), two equivalent Ti(2), and six equivalent Ag(1) atoms. There are four shorter (2.80 Å) and two longer (3.20 Å) Ag(1)-Ag(1) bond lengths.