data_TiAgBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   3.35
_cell_length_c   8.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAgBi2
_chemical_formula_sum   'Ti1 Ag1 Bi2'
_cell_volume   96.31
_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  Ti3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.4  1.0
  Bi  Bi1  1  0.09  0.0  0.76  1.0
  Bi  Bi2  1  0.09  0.0  0.04  1.0

data_TiAgBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   3.35
_cell_length_c   8.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAgBi2
_chemical_formula_sum   'Ti1 Ag1 Bi2'
_cell_volume   96.31
_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  0.0  1.0
  Ag  Ag1  1  0.0  0.0  0.4  1.0
  Bi  Bi2  1  0.09  0.0  0.04  1.0
  Bi  Bi3  1  0.09  0.0  0.76  1.0

Ti Ag Bi Bi
Ti Ag Bi Bi 0 3 o o o 0 1 o o o 0 2 o o - 1 1 o + o 1 1 + o o 1 3 o o o 1 2 o o o 2 3 o o + 
TiAgBi2 crystallizes in the triclinic P1 space group. Ti(1) is bonded in a distorted single-bond geometry to one Bi(1) and one Bi(2) atom. The Ti(1)-Bi(1) bond length is 2.10 Å. The Ti(1)-Bi(2) bond length is 0.44 Å. Ag(1) is bonded to four equivalent Ag(1), one Bi(1), and one Bi(2) atom to form a mixture of distorted edge and corner-sharing AgAg4Bi2 octahedra. The corner-sharing octahedra are not tilted. All Ag(1)-Ag(1) bond lengths are 3.35 Å. The Ag(1)-Bi(1) bond length is 3.22 Å. The Ag(1)-Bi(2) bond length is 3.22 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a single-bond geometry to one Ti(1) and one Ag(1) atom. In the second Bi site, Bi(2) is bonded in a single-bond geometry to one Ti(1) and one Ag(1) atom.