data_KTlAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTlAg3
_chemical_formula_sum   'K1 Tl1 Ag3'
_cell_volume   161.24
_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  Tl0  1  0.72  0.72  0.72  1.0
  Ag  Ag2  1  0.72  0.0  0.72  1.0
  Ag  Ag3  1  0.72  0.72  0.0  1.0
  Ag  Ag4  1  0.0  0.72  0.72  1.0

data_KTlAg3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.7
_cell_length_b   7.7
_cell_length_c   9.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KTlAg3
_chemical_formula_sum   'K3 Tl3 Ag9'
_cell_volume   483.72
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Tl  Tl1  3  0.0  0.0  0.72  1.0
  Ag  Ag2  9  0.19  0.09  0.81  1.0

K Tl Ag Ag Ag
K Tl Ag Ag Ag 0 3 - - o 0 2 - o - 0 4 o - - 1 2 o + o 1 3 o o + 1 4 + o o 
KAg3Tl is alpha Po structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three KAg3Tl clusters. K(1) is bonded in a 3-coordinate geometry to three equivalent Ag(1) atoms. All K(1)-Ag(1) bond lengths are 2.14 Å. Ag(1) is bonded in an L-shaped geometry to one K(1) and one Tl(1) atom. The Ag(1)-Tl(1) bond length is 1.52 Å. Tl(1) is bonded in a distorted T-shaped geometry to three equivalent Ag(1) atoms.