data_KMnTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   3.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnTl2
_chemical_formula_sum   'K1 Mn1 Tl2'
_cell_volume   113.61
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.71  0.71  0.0  1.0
  Tl  Tl2  1  0.71  0.0  0.94  1.0
  Tl  Tl3  1  0.0  0.71  0.94  1.0

data_KMnTl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.65
_cell_length_b   7.65
_cell_length_c   3.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KMnTl2
_chemical_formula_sum   'K2 Mn2 Tl4'
_cell_volume   227.23
_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
  K  K0  2  0.0  0.0  0.0  1.0
  Mn  Mn1  2  0.21  0.5  -0.0  1.0
  Tl  Tl2  4  0.35  0.35  0.94  1.0

K Mn Tl Tl
KMnTl2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two KMnTl2 clusters. K(1) is bonded in an L-shaped geometry to two equivalent Tl(1) atoms. Both K(1)-Tl(1) bond lengths are 1.61 Å. Mn(1) is bonded in an L-shaped geometry to two equivalent Tl(1) atoms. Both Mn(1)-Tl(1) bond lengths are 1.61 Å. Tl(1) is bonded in a distorted L-shaped geometry to one K(1) and one Mn(1) atom.