data_Mg2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   7.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Tl
_chemical_formula_sum   'Mg2 Tl1'
_cell_volume   74.71
_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  Mg0  1  0.67  0.96  0.15  1.0
  Mg  Mg1  1  0.0  0.93  0.59  1.0
  Tl  Tl2  1  0.0  0.0  0.0  1.0

data_Mg2Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   7.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Tl
_chemical_formula_sum   'Mg2 Tl1'
_cell_volume   74.71
_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  Mg0  1  0.0  0.93  0.59  1.0
  Mg  Mg1  1  0.67  0.96  0.15  1.0
  Tl  Tl2  1  0.0  0.0  0.0  1.0

Mg Mg Tl
Mg Mg Tl 0 2 + + o 0 1 + o o 1 1 + + o 1 1 o + o 1 1 + o o 1 2 o + + 
Mg2Tl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Mg2Tl cluster. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to one Tl(1) atom. The Mg(1)-Tl(1) bond length is 1.55 Å. In the second Mg site, Mg(2) is bonded in a distorted single-bond geometry to one Tl(1) atom. The Mg(2)-Tl(1) bond length is 3.17 Å. Tl(1) is bonded in a distorted single-bond geometry to one Mg(1) and one Mg(2) atom.