data_MgTl2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   3.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTl2Bi
_chemical_formula_sum   'Mg1 Tl2 Bi1'
_cell_volume   117.12
_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
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.0  0.75  0.94  1.0
  Tl  Tl3  1  0.75  0.0  0.94  1.0
  Bi  Bi0  1  0.75  0.75  0.0  1.0

data_MgTl2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.77
_cell_length_b   7.77
_cell_length_c   3.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgTl2Bi
_chemical_formula_sum   'Mg2 Tl4 Bi2'
_cell_volume   234.25
_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
  Mg  Mg0  2  0.0  0.0  0.0  1.0
  Tl  Tl1  4  0.37  0.37  0.94  1.0
  Bi  Bi2  2  0.25  0.5  -0.0  1.0

Mg Tl Tl Bi
Mg Tl Tl Bi 0 2 - o - 0 1 o - - 1 3 - o + 2 3 o - + 
MgTl2Bi is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MgTl2Bi clusters. Mg(1) is bonded in an L-shaped geometry to two equivalent Tl(1) atoms. Both Mg(1)-Tl(1) bond lengths are 1.41 Å. Tl(1) is bonded in an L-shaped geometry to one Mg(1) and one Bi(1) atom. The Tl(1)-Bi(1) bond length is 1.41 Å. Bi(1) is bonded in an L-shaped geometry to two equivalent Tl(1) atoms.