data_YHfAgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHfAgPb
_chemical_formula_sum   'Y1 Hf1 Ag1 Pb1'
_cell_volume   99.45
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.52  0.52  0.52  1.0
  Ag  Ag0  1  0.68  0.68  0.68  1.0
  Pb  Pb2  1  0.84  0.84  0.84  1.0

data_YHfAgPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YHfAgPb
_chemical_formula_sum   'Y3 Hf3 Ag3 Pb3'
_cell_volume   298.36
_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
  Y  Y0  3  0.0  0.0  0.0  1.0
  Hf  Hf1  3  0.0  0.0  0.48  1.0
  Ag  Ag2  3  0.0  0.0  0.32  1.0
  Pb  Pb3  3  0.0  0.0  0.16  1.0

Y Hf Ag Pb
Y Hf Ag Pb 0 3 - - - 1 2 o o o 2 3 o o o 
YHfAgPb crystallizes in the trigonal R3m space group. Y(1) is bonded in a distorted single-bond geometry to three equivalent Ag(1) and one Pb(1) atom. All Y(1)-Ag(1) bond lengths are 3.01 Å. The Y(1)-Pb(1) bond length is 2.06 Å. Hf(1) is bonded to one Ag(1) and three equivalent Pb(1) atoms to form distorted HfAgPb3 trigonal pyramids that share  a cornercorner with one Pb(1)YHf3Ag trigonal bipyramid, corners with three equivalent Ag(1)Y3HfPb trigonal bipyramids, and corners with six equivalent Hf(1)AgPb3 trigonal pyramids. The Hf(1)-Ag(1) bond length is 2.06 Å. All Hf(1)-Pb(1) bond lengths are 3.01 Å. Ag(1) is bonded to three equivalent Y(1), one Hf(1), and one Pb(1) atom to form distorted AgY3HfPb trigonal bipyramids that share corners with six equivalent Ag(1)Y3HfPb trigonal bipyramids, corners with three equivalent Hf(1)AgPb3 trigonal pyramids, and edges with three equivalent Pb(1)YHf3Ag trigonal bipyramids. The Ag(1)-Pb(1) bond length is 2.06 Å. Pb(1) is bonded to one Y(1), three equivalent Hf(1), and one Ag(1) atom to form distorted PbYHf3Ag trigonal bipyramids that share corners with six equivalent Pb(1)YHf3Ag trigonal bipyramids,  a cornercorner with one Hf(1)AgPb3 trigonal pyramid, and edges with three equivalent Ag(1)Y3HfPb trigonal bipyramids.