data_Tl2CdAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   5.16
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   100.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CdAg
_chemical_formula_sum   'Tl2 Cd1 Ag1'
_cell_volume   103.91
_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
  Tl  Tl2  1  0.92  0.58  0.68  1.0
  Tl  Tl3  1  0.18  0.58  0.51  1.0
  Cd  Cd1  1  0.05  0.0  0.09  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_Tl2CdAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.16
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   100.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CdAg
_chemical_formula_sum   'Tl2 Cd1 Ag1'
_cell_volume   103.91
_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
  Tl  Tl0  1  0.18  0.58  0.51  1.0
  Tl  Tl1  1  0.92  0.58  0.68  1.0
  Cd  Cd2  1  0.05  0.0  0.09  1.0
  Ag  Ag3  1  0.0  0.0  0.0  1.0

Tl Tl Cd Ag
Tl Tl Cd Ag 0 1 + o o 2 3 o o o 
AgCdTl2 crystallizes in the triclinic P1 space group. Ag(1) is bonded in a single-bond geometry to one Cd(1) and two equivalent Tl(1) atoms. The Ag(1)-Cd(1) bond length is 0.57 Å. There is one shorter (2.95 Å) and one longer (3.60 Å) Ag(1)-Tl(1) bond length. Cd(1) is bonded in a single-bond geometry to one Ag(1) and one Tl(2) atom. The Cd(1)-Tl(2) bond length is 3.36 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 4-coordinate geometry to two equivalent Ag(1) and two equivalent Tl(2) atoms. There is one shorter (1.47 Å) and one longer (2.45 Å) Tl(1)-Tl(2) bond length. In the second Tl site, Tl(2) is bonded in a distorted trigonal non-coplanar geometry to one Cd(1) and two equivalent Tl(1) atoms.