data_MnTl2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   129.67
_cell_angle_beta   129.67
_cell_angle_gamma   73.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTl2Cd
_chemical_formula_sum   'Mn1 Tl2 Cd1'
_cell_volume   95.94
_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
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.34  0.0  0.2  1.0
  Tl  Tl3  1  0.0  0.34  0.2  1.0
  Cd  Cd0  1  0.0  0.0  0.39  1.0

data_MnTl2Cd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.61
_cell_length_b   6.61
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   126.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnTl2Cd
_chemical_formula_sum   'Mn2 Tl4 Cd2'
_cell_volume   191.88
_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
  Mn  Mn0  2  0.0  0.0  0.0  1.0
  Tl  Tl1  4  0.33  0.33  0.86  1.0
  Cd  Cd2  2  0.0  0.0  0.39  1.0

Mn Tl Tl Cd
MnCdTl2 is Copper structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MnCdTl2 clusters. Mn(1) is bonded in a 3-coordinate geometry to one Cd(1) and two equivalent Tl(1) atoms. The Mn(1)-Cd(1) bond length is 2.15 Å. Both Mn(1)-Tl(1) bond lengths are 1.43 Å. Cd(1) is bonded in a 1-coordinate geometry to one Mn(1) atom. Tl(1) is bonded in a single-bond geometry to one Mn(1) atom.