The material structure described by MnTl3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Mn(1) is bonded to four equivalent Tl(2) and eight equivalent Tl(1) atoms to form MnTl12 cuboctahedra that share corners with four equivalent Mn(1)Tl12 cuboctahedra, corners with eight equivalent Tl(2)Mn4Tl8 cuboctahedra, edges with eight equivalent Mn(1)Tl12 cuboctahedra, edges with sixteen equivalent Tl(1)Mn4Tl8 cuboctahedra, faces with four equivalent Mn(1)Tl12 cuboctahedra, faces with six equivalent Tl(2)Mn4Tl8 cuboctahedra, and faces with eight equivalent Tl(1)Mn4Tl8 cuboctahedra. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to four equivalent Mn(1), four equivalent Tl(1), and four equivalent Tl(2) atoms to form TlMn4Tl8 cuboctahedra that share corners with twelve equivalent Tl(1)Mn4Tl8 cuboctahedra, edges with eight equivalent Mn(1)Tl12 cuboctahedra, edges with eight equivalent Tl(1)Mn4Tl8 cuboctahedra, edges with eight equivalent Tl(2)Mn4Tl8 cuboctahedra, faces with four equivalent Mn(1)Tl12 cuboctahedra, faces with four equivalent Tl(2)Mn4Tl8 cuboctahedra, and faces with ten equivalent Tl(1)Mn4Tl8 cuboctahedra. In the second Tl site, Tl(2) is bonded to four equivalent Mn(1) and eight equivalent Tl(1) atoms to form TlMn4Tl8 cuboctahedra that share corners with four equivalent Tl(2)Mn4Tl8 cuboctahedra, corners with eight equivalent Mn(1)Tl12 cuboctahedra, edges with eight equivalent Tl(2)Mn4Tl8 cuboctahedra, edges with sixteen equivalent Tl(1)Mn4Tl8 cuboctahedra, faces with four equivalent Tl(2)Mn4Tl8 cuboctahedra, faces with six equivalent Mn(1)Tl12 cuboctahedra, and faces with eight equivalent Tl(1)Mn4Tl8 cuboctahedra. is represented by the CIF file [CIF]
data_MnTl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.917
_cell_length_b   5.917
_cell_length_c   5.917
_cell_angle_alpha   134.425
_cell_angle_beta   134.425
_cell_angle_gamma   66.424
_symmetry_Int_Tables_number   1
_cell_volume   103.990
_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  Mn0  1  0.000  0.000  0.000  1.0
  Tl  Tl1  1  0.750  0.250  0.500  1.0
  Tl  Tl2  1  0.250  0.750  0.500  1.0
  Tl  Tl3  1  0.500  0.500  0.000  1.0
[/CIF]
.
The material structure described by MnTl3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Mn(1) is bonded to four equivalent Tl(2) and eight equivalent Tl(1) atoms to form MnTl12 cuboctahedra that share corners with four equivalent Mn(1)Tl12 cuboctahedra, corners with eight equivalent Tl(2)Mn4Tl8 cuboctahedra, edges with eight equivalent Mn(1)Tl12 cuboctahedra, edges with sixteen equivalent Tl(1)Mn4Tl8 cuboctahedra, faces with four equivalent Mn(1)Tl12 cuboctahedra, faces with six equivalent Tl(2)Mn4Tl8 cuboctahedra, and faces with eight equivalent Tl(1)Mn4Tl8 cuboctahedra. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to four equivalent Mn(1), four equivalent Tl(1), and four equivalent Tl(2) atoms to form TlMn4Tl8 cuboctahedra that share corners with twelve equivalent Tl(1)Mn4Tl8 cuboctahedra, edges with eight equivalent Mn(1)Tl12 cuboctahedra, edges with eight equivalent Tl(1)Mn4Tl8 cuboctahedra, edges with eight equivalent Tl(2)Mn4Tl8 cuboctahedra, faces with four equivalent Mn(1)Tl12 cuboctahedra, faces with four equivalent Tl(2)Mn4Tl8 cuboctahedra, and faces with ten equivalent Tl(1)Mn4Tl8 cuboctahedra. In the second Tl site, Tl(2) is bonded to four equivalent Mn(1) and eight equivalent Tl(1) atoms to form TlMn4Tl8 cuboctahedra that share corners with four equivalent Tl(2)Mn4Tl8 cuboctahedra, corners with eight equivalent Mn(1)Tl12 cuboctahedra, edges with eight equivalent Tl(2)Mn4Tl8 cuboctahedra, edges with sixteen equivalent Tl(1)Mn4Tl8 cuboctahedra, faces with four equivalent Tl(2)Mn4Tl8 cuboctahedra, faces with six equivalent Mn(1)Tl12 cuboctahedra, and faces with eight equivalent Tl(1)Mn4Tl8 cuboctahedra. is represented by the CIF file [CIF]
data_MnTl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.917
_cell_length_b   5.917
_cell_length_c   5.917
_cell_angle_alpha   134.425
_cell_angle_beta   134.425
_cell_angle_gamma   66.424
_symmetry_Int_Tables_number   1
_cell_volume   103.990
_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  Mn0  1  0.000  0.000  0.000  1.0
  Tl  Tl1  1  0.750  0.250  0.500  1.0
  Tl  Tl2  1  0.250  0.750  0.500  1.0
  Tl  Tl3  1  0.500  0.500  0.000  1.0
[/CIF]
.