data_MgTlCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   3.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTlCu2
_chemical_formula_sum   'Mg1 Tl1 Cu2'
_cell_volume   68.17
_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  Mg2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.14  0.14  0.0  1.0
  Cu  Cu0  1  0.14  0.0  0.86  1.0
  Cu  Cu1  1  0.0  0.14  0.86  1.0

data_MgTlCu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   3.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgTlCu2
_chemical_formula_sum   'Mg2 Tl2 Cu4'
_cell_volume   136.34
_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  2  0.14  0.0  0.0  1.0
  Cu  Cu2  4  0.07  0.07  0.86  1.0

Mg Tl Cu Cu
MgCu2Tl is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MgCu2Tl clusters. Mg(1) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one Tl(1) atom. Both Mg(1)-Cu(1) bond lengths are 0.78 Å. The Mg(1)-Tl(1) bond length is 0.83 Å. Cu(1) is bonded in a 3-coordinate geometry to one Mg(1), one Cu(1), and one Tl(1) atom. The Cu(1)-Cu(1) bond length is 0.83 Å. The Cu(1)-Tl(1) bond length is 0.78 Å. Tl(1) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent Cu(1) atoms.