data_BeTlAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.46
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTlAu
_chemical_formula_sum   'Be1 Tl1 Au1'
_cell_volume   62.79
_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  Be1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.15  0.15  0.15  1.0
  Au  Au0  1  0.58  0.58  0.58  1.0

data_BeTlAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   10.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BeTlAu
_chemical_formula_sum   'Be3 Tl3 Au3'
_cell_volume   188.38
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Tl  Tl1  3  0.0  0.0  0.85  1.0
  Au  Au2  3  0.0  0.0  0.42  1.0

Be Tl Au
BeAuTl crystallizes in the trigonal R3m space group. Be(1) is bonded to three equivalent Au(1) and one Tl(1) atom to form BeTlAu3 tetrahedra that share corners with three equivalent Tl(1)BeAu3 tetrahedra, corners with six equivalent Be(1)TlAu3 tetrahedra, and edges with three equivalent Tl(1)BeAu3 tetrahedra. All Be(1)-Au(1) bond lengths are 2.75 Å. The Be(1)-Tl(1) bond length is 1.69 Å. Au(1) is bonded in a 6-coordinate geometry to three equivalent Be(1) and three equivalent Tl(1) atoms. All Au(1)-Tl(1) bond lengths are 2.75 Å. Tl(1) is bonded to one Be(1) and three equivalent Au(1) atoms to form TlBeAu3 tetrahedra that share corners with three equivalent Be(1)TlAu3 tetrahedra, corners with six equivalent Tl(1)BeAu3 tetrahedra, and edges with three equivalent Be(1)TlAu3 tetrahedra.