data_YTl2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTl2Ag
_chemical_formula_sum   'Y1 Tl2 Ag1'
_cell_volume   98.78
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.5  0.5  0.5  1.0
  Tl  Tl2  1  0.83  0.83  0.83  1.0
  Ag  Ag0  1  0.67  0.67  0.67  1.0

data_YTl2Ag
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YTl2Ag
_chemical_formula_sum   'Y3 Tl6 Ag3'
_cell_volume   296.33
_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
  Y  Y0  3  0.0  0.0  0.0  1.0
  Tl  Tl1  3  0.0  0.0  0.17  1.0
  Tl  Tl2  3  0.0  0.0  0.5  1.0
  Ag  Ag3  3  0.0  0.0  0.33  1.0

Y Tl Tl Ag
YAgTl2 crystallizes in the trigonal R3m space group. Y(1) is bonded to three equivalent Ag(1) and one Tl(2) atom to form distorted YTlAg3 trigonal pyramids that share  a cornercorner with one Ag(1)Y3Tl2 trigonal bipyramid and corners with six equivalent Y(1)TlAg3 trigonal pyramids. All Y(1)-Ag(1) bond lengths are 3.00 Å. The Y(1)-Tl(2) bond length is 2.10 Å. Ag(1) is bonded to three equivalent Y(1), one Tl(1), and one Tl(2) atom to form distorted AgY3Tl2 trigonal bipyramids that share corners with six equivalent Ag(1)Y3Tl2 trigonal bipyramids and  a cornercorner with one Y(1)TlAg3 trigonal pyramid. The Ag(1)-Tl(1) bond length is 2.10 Å. The Ag(1)-Tl(2) bond length is 2.10 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a single-bond geometry to one Ag(1) atom. In the second Tl site, Tl(2) is bonded in a linear geometry to one Y(1) and one Ag(1) atom.