data_K2YTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   11.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2YTl
_chemical_formula_sum   'K2 Y1 Tl1'
_cell_volume   182.25
_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  0.02  0.02  0.75  1.0
  K  K1  1  0.0  0.0  0.59  1.0
  Y  Y3  1  0.0  0.0  0.49  1.0
  Tl  Tl2  1  0.02  0.02  0.14  1.0

data_K2YTl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   11.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2YTl
_chemical_formula_sum   'K4 Y2 Tl2'
_cell_volume   364.51
_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  0.59  1.0
  K  K1  2  0.02  0.0  0.75  1.0
  Y  Y2  2  0.0  0.0  0.49  1.0
  Tl  Tl3  2  0.02  0.0  0.14  1.0

K K Y Tl
K K Y Tl 0 1 o o o 0 3 o o + 1 2 o o o 2 3 o o o 3 3 + o o 3 3 o + o 
K2YTl crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two K2YTl clusters. There are two inequivalent K sites. In the first K site, K(1) is bonded in a single-bond geometry to one K(2) atom. The K(1)-K(2) bond length is 1.78 Å. In the second K site, K(2) is bonded in a distorted single-bond geometry to one K(1) and one Y(1) atom. The K(2)-Y(1) bond length is 1.12 Å. Y(1) is bonded in a single-bond geometry to one K(2) and one Tl(1) atom. The Y(1)-Tl(1) bond length is 3.91 Å. Tl(1) is bonded in a single-bond geometry to one Y(1) atom.