data_KYTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   3.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYTl2
_chemical_formula_sum   'K1 Y1 Tl2'
_cell_volume   123.14
_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
  Y  Y3  1  0.92  0.92  0.0  1.0
  Tl  Tl1  1  0.0  0.92  0.81  1.0
  Tl  Tl2  1  0.92  0.0  0.81  1.0

data_KYTl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.25
_cell_length_b   8.25
_cell_length_c   3.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KYTl2
_chemical_formula_sum   'K2 Y2 Tl4'
_cell_volume   246.29
_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
  Y  Y1  2  0.42  0.5  0.0  1.0
  Tl  Tl2  4  0.46  0.46  0.81  1.0

K Y Tl Tl
K Y Tl Tl 0 1 - - o 2 3 - + o 
KYTl2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two KYTl2 clusters. K(1) is bonded in a distorted single-bond geometry to one Y(1) and two equivalent Tl(1) atoms. The K(1)-Y(1) bond length is 0.68 Å. Both K(1)-Tl(1) bond lengths are 0.84 Å. Y(1) is bonded in a single-bond geometry to one K(1) and two equivalent Tl(1) atoms. Both Y(1)-Tl(1) bond lengths are 0.84 Å. Tl(1) is bonded in a 3-coordinate geometry to one K(1), one Y(1), and one Tl(1) atom. The Tl(1)-Tl(1) bond length is 0.68 Å.