data_HfAlTlPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAlTlPb
_chemical_formula_sum   'Hf1 Al1 Tl1 Pb1'
_cell_volume   97.3
_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
  Hf  Hf1  1  0.65  0.65  0.65  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.83  0.83  0.83  1.0
  Pb  Pb2  1  0.48  0.48  0.48  1.0

data_HfAlTlPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   12.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfAlTlPb
_chemical_formula_sum   'Hf3 Al3 Tl3 Pb3'
_cell_volume   291.89
_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
  Hf  Hf0  3  0.0  0.0  0.35  1.0
  Al  Al1  3  0.0  0.0  0.0  1.0
  Tl  Tl2  3  0.0  0.0  0.17  1.0
  Pb  Pb3  3  0.0  0.0  0.52  1.0

Hf Al Tl Pb
HfTlAlPb crystallizes in the trigonal R3m space group. Hf(1) is bonded in a distorted linear geometry to one Tl(1), three equivalent Al(1), and one Pb(1) atom. The Hf(1)-Tl(1) bond length is 2.21 Å. All Hf(1)-Al(1) bond lengths are 2.99 Å. The Hf(1)-Pb(1) bond length is 2.21 Å. Tl(1) is bonded to one Hf(1), one Al(1), and three equivalent Pb(1) atoms to form distorted TlHfAlPb3 trigonal bipyramids that share corners with six equivalent Tl(1)HfAlPb3 trigonal bipyramids and corners with three equivalent Al(1)Hf3Tl trigonal pyramids. The Tl(1)-Al(1) bond length is 2.21 Å. All Tl(1)-Pb(1) bond lengths are 2.99 Å. Al(1) is bonded to three equivalent Hf(1) and one Tl(1) atom to form AlHf3Tl trigonal pyramids that share corners with three equivalent Tl(1)HfAlPb3 trigonal bipyramids and corners with six equivalent Al(1)Hf3Tl trigonal pyramids. Pb(1) is bonded in a distorted single-bond geometry to one Hf(1) and three equivalent Tl(1) atoms.