data_TaBe2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   147.92
_cell_angle_beta   125.8
_cell_angle_gamma   64.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBe2Tl
_chemical_formula_sum   'Ta1 Be2 Tl1'
_cell_volume   65.92
_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
  Ta  Ta2  1  0.0  0.0  0.0  1.0
  Be  Be0  1  0.0  0.45  0.4  1.0
  Be  Be1  1  0.48  0.0  0.14  1.0
  Tl  Tl3  1  0.0  0.0  0.54  1.0

data_TaBe2Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.89
_cell_length_c   5.37
_cell_angle_alpha   117.1
_cell_angle_beta   106.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBe2Tl
_chemical_formula_sum   'Ta1 Be2 Tl1'
_cell_volume   65.92
_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
  Ta  Ta0  1  0.0  0.0  0.0  1.0
  Be  Be1  1  0.0  0.14  0.66  1.0
  Be  Be2  1  0.55  0.96  0.96  1.0
  Tl  Tl3  1  0.0  0.54  0.54  1.0

Ta Be Be Tl
Ta Be Be Tl 0 1 o o o 0 2 o o o 0 3 o o o 0 3 o o - 1 2 o + + 1 2 o o o 1 3 o o - 1 3 o + o 2 3 o o - 2 3 + o o 
Be2TaTl crystallizes in the triclinic P1 space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a 2-coordinate geometry to two equivalent Ta(1) and one Tl(1) atom. There is one shorter (1.28 Å) and one longer (1.73 Å) Be(1)-Ta(1) bond length. The Be(1)-Tl(1) bond length is 2.37 Å. In the second Be site, Be(2) is bonded in a 2-coordinate geometry to one Ta(1) and two equivalent Tl(1) atoms. The Be(2)-Ta(1) bond length is 2.24 Å. There is one shorter (2.31 Å) and one longer (2.70 Å) Be(2)-Tl(1) bond length. Ta(1) is bonded in a 2-coordinate geometry to one Be(2), two equivalent Be(1), and two equivalent Tl(1) atoms. There is one shorter (2.45 Å) and one longer (2.92 Å) Ta(1)-Tl(1) bond length. Tl(1) is bonded in a 5-coordinate geometry to one Be(1), two equivalent Be(2), and two equivalent Ta(1) atoms.