data_Ti2AgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   3.19
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2AgIr
_chemical_formula_sum   'Ti2 Ag1 Ir1'
_cell_volume   65.62
_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  0.32  1.0
  Ti  Ti3  1  0.59  0.59  0.55  1.0
  Ag  Ag0  1  0.0  0.0  0.21  1.0
  Ir  Ir1  1  0.59  0.59  0.07  1.0

data_Ti2AgIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ti2AgIr
_chemical_formula_sum   'Ti4 Ag2 Ir2'
_cell_volume   131.24
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.32  1.0
  Ti  Ti1  2  0.09  0.5  0.55  1.0
  Ag  Ag2  2  0.0  0.0  0.21  1.0
  Ir  Ir3  2  0.09  0.5  0.07  1.0

Ti Ti Ag Ir
Ti Ti Ag Ir 0 2 o o o 0 1 o o o 0 1 o - o 0 1 - o o 0 1 - - o 0 3 - - o 1 2 o + o 1 2 + o o 1 2 + + o 1 1 + o o 1 1 o + o 1 3 o o o 2 3 o - o 2 3 - o o 2 3 - - o 
Ti2IrAg crystallizes in the monoclinic Cm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a single-bond geometry to four equivalent Ti(2) and one Ag(1) atom. There are a spread of Ti(1)-Ti(2) bond distances ranging from 2.33-3.04 Å. The Ti(1)-Ag(1) bond length is 0.73 Å. In the second Ti site, Ti(2) is bonded in a 10-coordinate geometry to four equivalent Ti(1), four equivalent Ti(2), and two equivalent Ir(1) atoms. All Ti(2)-Ti(2) bond lengths are 3.19 Å. There is one shorter (3.07 Å) and one longer (3.39 Å) Ti(2)-Ir(1) bond length. Ir(1) is bonded in a 1-coordinate geometry to two equivalent Ti(2) and one Ag(1) atom. The Ir(1)-Ag(1) bond length is 2.04 Å. Ag(1) is bonded in a single-bond geometry to one Ti(1) and one Ir(1) atom.