data_MnTlBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTlBi2
_chemical_formula_sum   'Mn1 Tl1 Bi2'
_cell_volume   111.4
_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  Mn2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.41  0.41  0.0  1.0
  Bi  Bi0  1  0.41  0.0  0.4  1.0
  Bi  Bi1  1  0.0  0.41  0.4  1.0

data_MnTlBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.81
_cell_length_b   6.81
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnTlBi2
_chemical_formula_sum   'Mn2 Tl2 Bi4'
_cell_volume   222.79
_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
  Mn  Mn0  2  0.0  0.0  0.0  1.0
  Tl  Tl1  2  0.41  0.0  -0.0  1.0
  Bi  Bi2  4  0.2  0.2  0.4  1.0

Mn Tl Bi Bi
MnTlBi2 crystallizes in the monoclinic Cm space group. Mn(1) is bonded in a 9-coordinate geometry to three equivalent Tl(1) and six equivalent Bi(1) atoms. There is one shorter (2.79 Å) and two longer (3.46 Å) Mn(1)-Tl(1) bond lengths. There are a spread of Mn(1)-Bi(1) bond distances ranging from 2.75-3.49 Å. Tl(1) is bonded in a 9-coordinate geometry to three equivalent Mn(1) and six equivalent Bi(1) atoms. There are a spread of Tl(1)-Bi(1) bond distances ranging from 2.75-3.49 Å. Bi(1) is bonded in a 2-coordinate geometry to three equivalent Mn(1) and three equivalent Tl(1) atoms.