data_HfTiTlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTiTlCu
_chemical_formula_sum   'Hf1 Ti1 Tl1 Cu1'
_cell_volume   74.52
_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  0.34  0.34  0.34  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.67  0.67  0.67  1.0
  Cu  Cu0  1  0.01  0.01  0.01  1.0

data_HfTiTlCu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   11.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfTiTlCu
_chemical_formula_sum   'Hf3 Ti3 Tl3 Cu3'
_cell_volume   223.55
_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  0.66  1.0
  Ti  Ti1  3  0.0  0.0  0.0  1.0
  Tl  Tl2  3  0.0  0.0  0.33  1.0
  Cu  Cu3  3  0.0  0.0  0.99  1.0

Hf Ti Tl Cu
HfTiCuTl crystallizes in the trigonal R3m space group. Hf(1) is bonded in a 11-coordinate geometry to three equivalent Ti(1), four equivalent Cu(1), and four equivalent Tl(1) atoms. All Hf(1)-Ti(1) bond lengths are 2.73 Å. There are three shorter (2.73 Å) and one longer (3.82 Å) Hf(1)-Cu(1) bond length. There are three shorter (2.73 Å) and one longer (3.82 Å) Hf(1)-Tl(1) bond length. Ti(1) is bonded in a single-bond geometry to three equivalent Hf(1) and one Cu(1) atom. The Ti(1)-Cu(1) bond length is 0.11 Å. Cu(1) is bonded in a single-bond geometry to four equivalent Hf(1) and one Ti(1) atom. Tl(1) is bonded in a 3-coordinate geometry to four equivalent Hf(1) atoms.