data_YTl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76
_cell_length_b   6.76
_cell_length_c   6.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTl4
_chemical_formula_sum   'Y2 Tl8'
_cell_volume   303.86
_cell_formula_units_Z   2
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  Y8  1  0.0  0.0  0.0  1.0
  Y  Y9  1  0.38  0.38  0.32  1.0
  Tl  Tl0  1  0.58  0.93  0.51  1.0
  Tl  Tl1  1  0.18  0.84  0.51  1.0
  Tl  Tl2  1  0.93  0.18  0.13  1.0
  Tl  Tl3  1  0.84  0.58  0.13  1.0
  Tl  Tl4  1  0.8  0.31  0.81  1.0
  Tl  Tl5  1  0.97  0.45  0.81  1.0
  Tl  Tl6  1  0.45  0.8  0.83  1.0
  Tl  Tl7  1  0.31  0.97  0.83  1.0

data_YTl4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.64
_cell_length_b   6.76
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTl4
_chemical_formula_sum   'Y2 Tl8'
_cell_volume   303.86
_cell_formula_units_Z   2
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  Y0  1  0.0  0.0  0.0  1.0
  Y  Y1  1  0.32  0.38  0.38  1.0
  Tl  Tl2  1  0.13  0.84  0.58  1.0
  Tl  Tl3  1  0.13  0.93  0.18  1.0
  Tl  Tl4  1  0.51  0.18  0.84  1.0
  Tl  Tl5  1  0.51  0.58  0.93  1.0
  Tl  Tl6  1  0.81  0.8  0.31  1.0
  Tl  Tl7  1  0.81  0.97  0.45  1.0
  Tl  Tl8  1  0.83  0.31  0.97  1.0
  Tl  Tl9  1  0.83  0.45  0.8  1.0

Y Y Tl Tl Tl Tl Tl Tl Tl Tl
Y Y Tl Tl Tl Tl Tl Tl Tl Tl 0 4 - o o 0 1 o o o 0 5 - - o 1 9 o - - 1 9 o - o 1 4 - o o 1 4 o o o 1 3 o - o 1 3 o o o 1 5 - o o 1 5 o o o 1 7 - o - 1 7 - o o 1 6 o o - 1 6 o o o 1 2 o - o 1 2 o o o 1 8 o o - 1 8 o o o 2 8 o o o 2 3 o o o 2 9 o o o 3 8 o o o 3 9 o o o 4 5 o o o 5 6 o o - 5 7 o o - 6 7 o o o 8 9 o o o 
YTl4 crystallizes in the triclinic P1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 2-coordinate geometry to one Tl(3), one Tl(4), one Tl(8), and two equivalent Tl(2) atoms. The Y(1)-Tl(3) bond length is 1.57 Å. The Y(1)-Tl(4) bond length is 3.14 Å. The Y(1)-Tl(8) bond length is 2.37 Å. There is one shorter (3.64 Å) and one longer (3.77 Å) Y(1)-Tl(2) bond length. In the second Y site, Y(2) is bonded in a distorted trigonal pyramidal geometry to one Tl(1), one Tl(2), one Tl(3), and one Tl(4) atom. The Y(2)-Tl(1) bond length is 3.60 Å. The Y(2)-Tl(2) bond length is 3.60 Å. The Y(2)-Tl(3) bond length is 3.60 Å. The Y(2)-Tl(4) bond length is 3.60 Å. There are eight inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 3-coordinate geometry to one Y(2), one Tl(2), and one Tl(7) atom. The Tl(1)-Tl(2) bond length is 2.82 Å. The Tl(1)-Tl(7) bond length is 2.47 Å. In the second Tl site, Tl(2) is bonded in a 7-coordinate geometry to one Y(2), two equivalent Y(1), one Tl(1), one Tl(6), one Tl(7), and one Tl(8) atom. The Tl(2)-Tl(6) bond length is 3.56 Å. The Tl(2)-Tl(7) bond length is 2.85 Å. The Tl(2)-Tl(8) bond length is 2.47 Å. In the third Tl site, Tl(3) is bonded in a single-bond geometry to one Y(1), one Y(2), and one Tl(4) atom. The Tl(3)-Tl(4) bond length is 2.82 Å. In the fourth Tl site, Tl(4) is bonded in a 4-coordinate geometry to one Y(1), one Y(2), one Tl(3), and one Tl(6) atom. The Tl(4)-Tl(6) bond length is 2.47 Å. In the fifth Tl site, Tl(5) is bonded in a 1-coordinate geometry to one Tl(6) atom. The Tl(5)-Tl(6) bond length is 1.52 Å. In the sixth Tl site, Tl(6) is bonded in a distorted single-bond geometry to one Tl(2), one Tl(4), and one Tl(5) atom. In the seventh Tl site, Tl(7) is bonded in a distorted single-bond geometry to one Tl(1), one Tl(2), and one Tl(8) atom. The Tl(7)-Tl(8) bond length is 1.52 Å. In the eighth Tl site, Tl(8) is bonded in a 2-coordinate geometry to one Y(1), one Tl(2), and one Tl(7) atom.