data_MnTlSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97
_cell_length_b   6.97
_cell_length_c   6.97
_cell_angle_alpha   152.05
_cell_angle_beta   152.05
_cell_angle_gamma   39.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTlSb
_chemical_formula_sum   'Mn1 Tl1 Sb1'
_cell_volume   74.09
_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  0.92  1.0
  Tl  Tl2  1  0.0  0.0  0.4  1.0
  Sb  Sb1  1  0.0  0.0  0.86  1.0

data_MnTlSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   6.97
_cell_angle_alpha   90.0
_cell_angle_beta   109.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnTlSb
_chemical_formula_sum   'Mn2 Tl2 Sb2'
_cell_volume   148.17
_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  0.08  1.0
  Tl  Tl1  2  0.0  0.0  0.6  1.0
  Sb  Sb2  2  0.0  0.0  0.14  1.0

Mn Tl Sb
MnTlSb crystallizes in the monoclinic Cm space group. Mn(1) is bonded in a single-bond geometry to one Tl(1) and one Sb(1) atom. The Mn(1)-Tl(1) bond length is 3.34 Å. The Mn(1)-Sb(1) bond length is 0.45 Å. Tl(1) is bonded in a 6-coordinate geometry to one Mn(1), four equivalent Tl(1), and one Sb(1) atom. All Tl(1)-Tl(1) bond lengths are 3.36 Å. The Tl(1)-Sb(1) bond length is 3.17 Å. Sb(1) is bonded in a single-bond geometry to one Mn(1) and one Tl(1) atom.