data_YTl2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   3.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTl2V
_chemical_formula_sum   'Y1 Tl2 V1'
_cell_volume   91.09
_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  0.18  0.0  0.0  1.0
  Tl  Tl0  1  0.59  0.82  0.64  1.0
  Tl  Tl1  1  0.59  0.18  0.64  1.0
  V  V2  1  0.0  0.0  0.0  1.0

data_YTl2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   107.82
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTl2V
_chemical_formula_sum   'Y1 Tl2 V1'
_cell_volume   91.09
_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  Y0  1  0.0  0.18  0.0  1.0
  Tl  Tl1  1  0.64  0.59  0.18  1.0
  Tl  Tl2  1  0.64  0.59  0.82  1.0
  V  V3  1  0.0  0.0  0.0  1.0

Y Tl Tl V
YVTl2 crystallizes in the triclinic P1 space group. Y(1) is bonded in a distorted single-bond geometry to one V(1), two equivalent Tl(1), and two equivalent Tl(2) atoms. The Y(1)-V(1) bond length is 0.99 Å. There is one shorter (2.93 Å) and one longer (3.40 Å) Y(1)-Tl(1) bond length. There is one shorter (2.43 Å) and one longer (2.98 Å) Y(1)-Tl(2) bond length. V(1) is bonded in a single-bond geometry to one Y(1) and two equivalent Tl(1) atoms. There is one shorter (2.43 Å) and one longer (2.98 Å) V(1)-Tl(1) bond length. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 8-coordinate geometry to two equivalent Y(1), two equivalent V(1), two equivalent Tl(1), and two equivalent Tl(2) atoms. Both Tl(1)-Tl(1) bond lengths are 3.28 Å. There is one shorter (1.98 Å) and one longer (3.43 Å) Tl(1)-Tl(2) bond length. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to two equivalent Y(1) and two equivalent Tl(1) atoms.