data_TlCd2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.82
_cell_angle_alpha   102.98
_cell_angle_beta   102.98
_cell_angle_gamma   35.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCd2Ag
_chemical_formula_sum   'Tl1 Cd2 Ag1'
_cell_volume   94.11
_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  Tl3  1  0.41  0.0  0.83  1.0
  Cd  Cd1  1  0.19  0.0  0.26  1.0
  Cd  Cd2  1  0.63  0.0  0.39  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_TlCd2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.35
_cell_length_c   5.82
_cell_angle_alpha   102.98
_cell_angle_beta   90.0
_cell_angle_gamma   107.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCd2Ag
_chemical_formula_sum   'Tl1 Cd2 Ag1'
_cell_volume   94.11
_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  0.0  0.59  0.17  1.0
  Cd  Cd1  1  0.0  0.37  0.61  1.0
  Cd  Cd2  1  0.0  0.81  0.74  1.0
  Ag  Ag3  1  0.0  0.0  0.0  1.0

Tl Cd Cd Ag
Tl Cd Cd Ag 0 1 o o o 0 1 o o + 0 3 o o + 0 3 + o + 0 0 + - o 0 2 o o o 0 2 o o + 1 3 o o o 1 2 o o o 
AgCd2Tl crystallizes in the triclinic P1 space group. Ag(1) is bonded in a distorted single-bond geometry to one Cd(1), two equivalent Cd(2), and two equivalent Tl(1) atoms. The Ag(1)-Cd(1) bond length is 1.64 Å. There is one shorter (3.32 Å) and one longer (3.64 Å) Ag(1)-Cd(2) bond length. There is one shorter (2.63 Å) and one longer (3.07 Å) Ag(1)-Tl(1) bond length. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a distorted single-bond geometry to one Ag(1) and three equivalent Cd(2) atoms. There are a spread of Cd(1)-Cd(2) bond distances ranging from 2.30-3.36 Å. In the second Cd site, Cd(2) is bonded in a 9-coordinate geometry to two equivalent Ag(1), two equivalent Cd(2), three equivalent Cd(1), and two equivalent Tl(1) atoms. Both Cd(2)-Cd(2) bond lengths are 3.26 Å. There is one shorter (3.02 Å) and one longer (3.23 Å) Cd(2)-Tl(1) bond length. Tl(1) is bonded in a 2-coordinate geometry to two equivalent Ag(1) and two equivalent Cd(2) atoms.