data_BeTl2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   124.19
_cell_angle_beta   124.19
_cell_angle_gamma   82.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTl2Pb
_chemical_formula_sum   'Be1 Tl2 Pb1'
_cell_volume   106.46
_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  Tl2  1  0.0  0.0  0.09  1.0
  Tl  Tl3  1  0.0  0.55  0.04  1.0
  Pb  Pb1  1  0.55  0.0  0.04  1.0

data_BeTl2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.45
_cell_angle_alpha   117.9
_cell_angle_beta   117.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTl2Pb
_chemical_formula_sum   'Be1 Tl2 Pb1'
_cell_volume   106.46
_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  0.09  0.09  0.09  1.0
  Tl  Tl2  1  0.49  0.04  0.49  1.0
  Pb  Pb3  1  0.04  0.49  0.49  1.0

Be Tl Tl Pb
BeTl2Pb crystallizes in the triclinic P1 space group. Be(1) is bonded in a distorted single-bond geometry to one Tl(1), one Tl(2), and one Pb(1) atom. The Be(1)-Tl(1) bond length is 0.48 Å. The Be(1)-Tl(2) bond length is 2.88 Å. The Be(1)-Pb(1) bond length is 2.88 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted single-bond geometry to one Be(1), one Tl(2), and one Pb(1) atom. The Tl(1)-Tl(2) bond length is 2.32 Å. The Tl(1)-Pb(1) bond length is 2.32 Å. In the second Tl site, Tl(2) is bonded in a 5-coordinate geometry to one Be(1), one Tl(1), and three equivalent Pb(1) atoms. There is one shorter (3.24 Å) and two longer (3.63 Å) Tl(2)-Pb(1) bond lengths. Pb(1) is bonded in a distorted linear geometry to one Be(1), one Tl(1), and three equivalent Tl(2) atoms.