data_MnTl2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   5.87
_cell_angle_alpha   145.94
_cell_angle_beta   126.57
_cell_angle_gamma   64.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTl2Si
_chemical_formula_sum   'Mn1 Tl2 Si1'
_cell_volume   90.09
_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  0.0  0.0  0.96  1.0
  Tl  Tl2  1  0.72  0.0  0.48  1.0
  Tl  Tl3  1  0.0  0.64  0.48  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0

data_MnTl2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   5.28
_cell_length_c   5.87
_cell_angle_alpha   116.72
_cell_angle_beta   107.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTl2Si
_chemical_formula_sum   'Mn1 Tl2 Si1'
_cell_volume   90.09
_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  0.04  0.04  0.04  1.0
  Tl  Tl1  1  0.24  0.52  0.24  1.0
  Tl  Tl2  1  0.52  0.16  0.16  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Mn Tl Tl Si
MnTl2Si crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MnTl2Si cluster. Mn(1) is bonded in a single-bond geometry to one Tl(1), one Tl(2), and one Si(1) atom. The Mn(1)-Tl(1) bond length is 2.25 Å. The Mn(1)-Tl(2) bond length is 1.60 Å. The Mn(1)-Si(1) bond length is 0.25 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 2-coordinate geometry to one Mn(1) and one Tl(2) atom. The Tl(1)-Tl(2) bond length is 2.04 Å. In the second Tl site, Tl(2) is bonded in a distorted single-bond geometry to one Mn(1) and one Tl(1) atom. Si(1) is bonded in a single-bond geometry to one Mn(1) atom.