data_HfScHgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfScHgPb
_chemical_formula_sum   'Hf1 Sc1 Hg1 Pb1'
_cell_volume   98.2
_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  0.83  0.83  0.83  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.49  0.49  0.49  1.0
  Pb  Pb2  1  0.66  0.66  0.66  1.0

data_HfScHgPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfScHgPb
_chemical_formula_sum   'Hf3 Sc3 Hg3 Pb3'
_cell_volume   294.6
_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  0.17  1.0
  Sc  Sc1  3  0.0  0.0  0.0  1.0
  Hg  Hg2  3  0.0  0.0  0.51  1.0
  Pb  Pb3  3  0.0  0.0  0.34  1.0

Hf Sc Hg Pb
ScHfHgPb crystallizes in the trigonal R3m space group. Sc(1) is bonded to one Hf(1) and three equivalent Pb(1) atoms to form distorted ScHfPb3 trigonal pyramids that share  a cornercorner with one Pb(1)HfSc3Hg trigonal bipyramid and corners with six equivalent Sc(1)HfPb3 trigonal pyramids. The Sc(1)-Hf(1) bond length is 2.15 Å. All Sc(1)-Pb(1) bond lengths are 2.99 Å. Hf(1) is bonded in a distorted single-bond geometry to one Sc(1), three equivalent Hg(1), and one Pb(1) atom. All Hf(1)-Hg(1) bond lengths are 2.99 Å. The Hf(1)-Pb(1) bond length is 2.15 Å. Hg(1) is bonded in a 4-coordinate geometry to three equivalent Hf(1) and one Pb(1) atom. The Hg(1)-Pb(1) bond length is 2.15 Å. Pb(1) is bonded to three equivalent Sc(1), one Hf(1), and one Hg(1) atom to form distorted PbHfSc3Hg trigonal bipyramids that share corners with six equivalent Pb(1)HfSc3Hg trigonal bipyramids and  a cornercorner with one Sc(1)HfPb3 trigonal pyramid.