data_NaHfMgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfMgPb
_chemical_formula_sum   'Na1 Hf1 Mg1 Pb1'
_cell_volume   97.6
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.48  0.48  0.48  1.0
  Mg  Mg1  1  0.83  0.83  0.83  1.0
  Pb  Pb3  1  0.65  0.65  0.65  1.0

data_NaHfMgPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   12.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaHfMgPb
_chemical_formula_sum   'Na3 Hf3 Mg3 Pb3'
_cell_volume   292.79
_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
  Na  Na0  3  0.0  0.0  0.0  1.0
  Hf  Hf1  3  0.0  0.0  0.52  1.0
  Mg  Mg2  3  0.0  0.0  0.17  1.0
  Pb  Pb3  3  0.0  0.0  0.35  1.0

Na Hf Mg Pb
NaMgHfPb crystallizes in the trigonal R3m space group. Na(1) is bonded to one Mg(1) and three equivalent Pb(1) atoms to form distorted NaMgPb3 trigonal pyramids that share  a cornercorner with one Pb(1)Na3HfMg trigonal bipyramid and corners with six equivalent Na(1)MgPb3 trigonal pyramids. The Na(1)-Mg(1) bond length is 2.19 Å. All Na(1)-Pb(1) bond lengths are 2.99 Å. Mg(1) is bonded in a distorted linear geometry to one Na(1) and one Pb(1) atom. The Mg(1)-Pb(1) bond length is 2.19 Å. Hf(1) is bonded in a single-bond geometry to one Pb(1) atom. The Hf(1)-Pb(1) bond length is 2.19 Å. Pb(1) is bonded to three equivalent Na(1), one Mg(1), and one Hf(1) atom to form distorted PbNa3HfMg trigonal bipyramids that share corners with six equivalent Pb(1)Na3HfMg trigonal bipyramids and  a cornercorner with one Na(1)MgPb3 trigonal pyramid.