data_HfTiSnPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTiSnPb
_chemical_formula_sum   'Hf1 Ti1 Sn1 Pb1'
_cell_volume   94.47
_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  Hf0  1  0.42  0.42  0.42  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.81  0.81  0.81  1.0
  Pb  Pb1  1  0.61  0.61  0.61  1.0

data_HfTiSnPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   12.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfTiSnPb
_chemical_formula_sum   'Hf3 Ti3 Sn3 Pb3'
_cell_volume   283.42
_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  0.58  1.0
  Ti  Ti1  3  0.0  0.0  0.0  1.0
  Sn  Sn2  3  0.0  0.0  0.19  1.0
  Pb  Pb3  3  0.0  0.0  0.39  1.0

Hf Ti Sn Pb
HfTiPbSn crystallizes in the trigonal R3m space group. Hf(1) is bonded in a distorted single-bond geometry to three equivalent Ti(1), one Pb(1), and three equivalent Sn(1) atoms. All Hf(1)-Ti(1) bond lengths are 3.15 Å. The Hf(1)-Pb(1) bond length is 2.41 Å. All Hf(1)-Sn(1) bond lengths are 3.02 Å. Ti(1) is bonded in a 10-coordinate geometry to three equivalent Hf(1), three equivalent Pb(1), and four equivalent Sn(1) atoms. All Ti(1)-Pb(1) bond lengths are 3.02 Å. There is one shorter (2.41 Å) and three longer (3.44 Å) Ti(1)-Sn(1) bond lengths. Pb(1) is bonded in a 5-coordinate geometry to one Hf(1), three equivalent Ti(1), and one Sn(1) atom. The Pb(1)-Sn(1) bond length is 2.41 Å. Sn(1) is bonded in a 5-coordinate geometry to three equivalent Hf(1), four equivalent Ti(1), and one Pb(1) atom.