data_NaTl2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.96
_cell_angle_alpha   99.61
_cell_angle_beta   99.61
_cell_angle_gamma   34.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTl2Cd
_chemical_formula_sum   'Na1 Tl2 Cd1'
_cell_volume   113.6
_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
  Na  Na1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.02  0.0  0.39  1.0
  Tl  Tl3  1  0.18  0.0  0.48  1.0
  Cd  Cd0  1  0.1  0.0  0.93  1.0

data_NaTl2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   5.88
_cell_length_c   5.96
_cell_angle_alpha   99.61
_cell_angle_beta   90.0
_cell_angle_gamma   107.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTl2Cd
_chemical_formula_sum   'Na1 Tl2 Cd1'
_cell_volume   113.6
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.82  0.52  1.0
  Tl  Tl2  1  0.0  0.98  0.61  1.0
  Cd  Cd3  1  0.0  0.9  0.07  1.0

Na Tl Tl Cd
NaCdTl2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NaCdTl2 cluster. Na(1) is bonded in a distorted single-bond geometry to one Cd(1) and one Tl(1) atom. The Na(1)-Cd(1) bond length is 0.77 Å. The Na(1)-Tl(1) bond length is 2.29 Å. Cd(1) is bonded in a single-bond geometry to one Na(1) atom. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a bent 120 degrees geometry to one Na(1) and one Tl(2) atom. The Tl(1)-Tl(2) bond length is 0.99 Å. In the second Tl site, Tl(2) is bonded in a distorted single-bond geometry to one Tl(1) atom.