data_BeTl2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   147.17
_cell_angle_beta   123.94
_cell_angle_gamma   66.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTl2V
_chemical_formula_sum   'Be1 Tl2 V1'
_cell_volume   75.64
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.6  0.53  1.0
  Tl  Tl2  1  0.57  0.0  0.1  1.0
  V  V3  1  0.0  0.0  0.63  1.0

data_BeTl2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   5.21
_cell_length_c   5.54
_cell_angle_alpha   118.03
_cell_angle_beta   106.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTl2V
_chemical_formula_sum   'Be1 Tl2 V1'
_cell_volume   75.64
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.1  0.54  1.0
  Tl  Tl2  1  0.4  0.93  0.93  1.0
  V  V3  1  0.0  0.63  0.63  1.0

Be Tl Tl V
Be Tl Tl V 0 1 o - - 0 2 o o o 0 2 - o o 0 3 o o - 1 2 o + + 1 2 - o o 1 3 o + o 2 3 o o - 2 3 + o o 2 2 o + + 
BeVTl2 crystallizes in the triclinic P1 space group. Be(1) is bonded in a 2-coordinate geometry to one V(1), two equivalent Tl(1), and two equivalent Tl(2) atoms. The Be(1)-V(1) bond length is 2.02 Å. There is one shorter (1.40 Å) and one longer (1.82 Å) Be(1)-Tl(1) bond length. There is one shorter (2.76 Å) and one longer (2.86 Å) Be(1)-Tl(2) bond length. V(1) is bonded in a 3-coordinate geometry to one Be(1), one Tl(1), and two equivalent Tl(2) atoms. The V(1)-Tl(1) bond length is 1.75 Å. There is one shorter (2.57 Å) and one longer (2.73 Å) V(1)-Tl(2) bond length. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 3-coordinate geometry to two equivalent Be(1), one V(1), and two equivalent Tl(2) atoms. There is one shorter (2.72 Å) and one longer (3.04 Å) Tl(1)-Tl(2) bond length. In the second Tl site, Tl(2) is bonded in a 8-coordinate geometry to two equivalent Be(1), two equivalent V(1), two equivalent Tl(1), and two equivalent Tl(2) atoms. Both Tl(2)-Tl(2) bond lengths are 3.13 Å.