data_YbTl2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbTl2Zn
_chemical_formula_sum   'Yb1 Tl2 Zn1'
_cell_volume   98.05
_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
  Yb  Yb2  1  0.66  0.66  0.66  1.0
  Tl  Tl0  1  0.83  0.83  0.83  1.0
  Tl  Tl1  1  0.49  0.49  0.49  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

data_YbTl2Zn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YbTl2Zn
_chemical_formula_sum   'Yb3 Tl6 Zn3'
_cell_volume   294.15
_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
  Yb  Yb0  3  0.0  0.0  0.34  1.0
  Tl  Tl1  3  0.0  0.0  0.17  1.0
  Tl  Tl2  3  0.0  0.0  0.51  1.0
  Zn  Zn3  3  0.0  0.0  0.0  1.0

Yb Tl Tl Zn
Yb Tl Tl Zn 0 2 o o o 0 1 o o o 1 3 + + + 
YbZnTl2 crystallizes in the trigonal R3m space group. Yb(1) is bonded to three equivalent Zn(1), one Tl(1), and one Tl(2) atom to form distorted YbTl2Zn3 trigonal bipyramids that share corners with six equivalent Yb(1)Tl2Zn3 trigonal bipyramids and  a cornercorner with one Zn(1)Yb3Tl trigonal pyramid. All Yb(1)-Zn(1) bond lengths are 2.99 Å. The Yb(1)-Tl(1) bond length is 2.16 Å. The Yb(1)-Tl(2) bond length is 2.16 Å. Zn(1) is bonded to three equivalent Yb(1) and one Tl(1) atom to form ZnYb3Tl trigonal pyramids that share  a cornercorner with one Yb(1)Tl2Zn3 trigonal bipyramid and corners with six equivalent Zn(1)Yb3Tl trigonal pyramids. The Zn(1)-Tl(1) bond length is 2.16 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 1-coordinate geometry to one Yb(1) and one Zn(1) atom. In the second Tl site, Tl(2) is bonded in a single-bond geometry to one Yb(1) atom.