data_SrHfPb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   6.45
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHfPb4
_chemical_formula_sum   'Sr1 Hf1 Pb4'
_cell_volume   189.67
_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
  Sr  Sr5  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.28  0.28  0.28  1.0
  Pb  Pb1  1  0.42  0.42  0.7  1.0
  Pb  Pb2  1  0.42  0.7  0.42  1.0
  Pb  Pb3  1  0.7  0.42  0.42  1.0
  Pb  Pb4  1  0.7  0.7  0.7  1.0

data_SrHfPb4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   15.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrHfPb4
_chemical_formula_sum   'Sr3 Hf3 Pb12'
_cell_volume   569.02
_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
  Sr  Sr0  3  0.0  0.0  0.0  1.0
  Hf  Hf1  3  0.0  0.0  0.72  1.0
  Pb  Pb2  9  0.09  0.18  0.49  1.0
  Pb  Pb3  3  0.0  0.0  0.3  1.0

Sr Hf Pb Pb Pb Pb
Sr Hf Pb Pb Pb Pb 0 4 - - o 0 4 - o - 0 4 - o o 0 3 - - o 0 3 o - - 0 3 o - o 0 5 - - o 0 5 - o - 0 5 o - - 0 2 - o - 0 2 o - - 0 2 o o - 0 1 - o o 0 1 o - o 0 1 o o - 0 1 o o o 1 3 o - o 1 3 o o o 1 4 - o o 1 4 o o o 1 5 - o o 1 5 o - o 1 5 o o - 1 2 o o - 1 2 o o o 2 4 o o o 2 3 o o o 2 5 o o o 3 4 o o o 3 5 o o o 4 5 o o o 
SrHfPb4 crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 9-coordinate geometry to three equivalent Hf(1), three equivalent Pb(1), and three equivalent Pb(2) atoms. All Sr(1)-Hf(1) bond lengths are 3.82 Å. All Sr(1)-Pb(1) bond lengths are 3.95 Å. All Sr(1)-Pb(2) bond lengths are 3.75 Å. Hf(1) is bonded in a 3-coordinate geometry to three equivalent Sr(1) and three equivalent Pb(1) atoms. All Hf(1)-Pb(1) bond lengths are 3.13 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(2) is bonded in a distorted trigonal planar geometry to three equivalent Sr(1) atoms. In the second Pb site, Pb(1) is bonded in a 3-coordinate geometry to one Sr(1), one Hf(1), and two equivalent Pb(1) atoms. Both Pb(1)-Pb(1) bond lengths are 1.75 Å.