data_KTl2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   4.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTl2As
_chemical_formula_sum   'K1 Tl2 As1'
_cell_volume   143.1
_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  K1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.3  0.12  0.19  1.0
  Tl  Tl3  1  0.3  0.88  0.19  1.0
  As  As0  1  0.3  0.0  0.0  1.0

data_KTl2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.38
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   112.51
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTl2As
_chemical_formula_sum   'K1 Tl2 As1'
_cell_volume   143.1
_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
  Tl  Tl1  1  0.19  0.3  0.88  1.0
  Tl  Tl2  1  0.19  0.3  0.12  1.0
  As  As3  1  0.0  0.3  0.0  1.0

K Tl Tl As
KTl2As crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one KTl2As cluster. K(1) is bonded in a 2-coordinate geometry to one Tl(1) and one As(1) atom. The K(1)-Tl(1) bond length is 1.86 Å. The K(1)-As(1) bond length is 1.81 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 1-coordinate geometry to one K(1) and one As(1) atom. The Tl(1)-As(1) bond length is 1.10 Å. In the second Tl site, Tl(2) is bonded in a single-bond geometry to one As(1) atom. The Tl(2)-As(1) bond length is 1.10 Å. As(1) is bonded in a 3-coordinate geometry to one K(1), one Tl(1), and one Tl(2) atom.