data_LaHfTlAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHfTlAu
_chemical_formula_sum   'La1 Hf1 Tl1 Au1'
_cell_volume   98.69
_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
  La  La2  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.83  0.83  0.83  1.0
  Tl  Tl3  1  0.5  0.5  0.5  1.0
  Au  Au0  1  0.67  0.67  0.67  1.0

data_LaHfTlAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaHfTlAu
_chemical_formula_sum   'La3 Hf3 Tl3 Au3'
_cell_volume   296.07
_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
  La  La0  3  0.0  0.0  0.0  1.0
  Hf  Hf1  3  0.0  0.0  0.17  1.0
  Tl  Tl2  3  0.0  0.0  0.5  1.0
  Au  Au3  3  0.0  0.0  0.33  1.0

La Hf Tl Au
LaHfAuTl crystallizes in the trigonal R3m space group. La(1) is bonded to one Hf(1) and three equivalent Au(1) atoms to form distorted LaHfAu3 trigonal pyramids that share  a cornercorner with one Au(1)La3HfTl trigonal bipyramid and corners with six equivalent La(1)HfAu3 trigonal pyramids. The La(1)-Hf(1) bond length is 2.11 Å. All La(1)-Au(1) bond lengths are 2.99 Å. Hf(1) is bonded in a 1-coordinate geometry to one La(1) and one Au(1) atom. The Hf(1)-Au(1) bond length is 2.11 Å. Au(1) is bonded to three equivalent La(1), one Hf(1), and one Tl(1) atom to form distorted AuLa3HfTl trigonal bipyramids that share corners with six equivalent Au(1)La3HfTl trigonal bipyramids and  a cornercorner with one La(1)HfAu3 trigonal pyramid. The Au(1)-Tl(1) bond length is 2.11 Å. Tl(1) is bonded in a distorted single-bond geometry to one Au(1) atom.