data_NaHfBiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfBiAu
_chemical_formula_sum   'Na1 Hf1 Bi1 Au1'
_cell_volume   92.61
_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  Na3  1  0.0  0.0  0.0  1.0
  Hf  Hf2  1  0.39  0.39  0.39  1.0
  Bi  Bi1  1  0.8  0.8  0.8  1.0
  Au  Au0  1  0.59  0.59  0.59  1.0

data_NaHfBiAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   12.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaHfBiAu
_chemical_formula_sum   'Na3 Hf3 Bi3 Au3'
_cell_volume   277.84
_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  0.61  1.0
  Bi  Bi2  3  0.0  0.0  0.2  1.0
  Au  Au3  3  0.0  0.0  0.41  1.0

Na Hf Bi Au
NaHfAuBi crystallizes in the trigonal R3m space group. Na(1) is bonded in a 10-coordinate geometry to three equivalent Hf(1), three equivalent Au(1), and four equivalent Bi(1) atoms. All Na(1)-Hf(1) bond lengths are 3.01 Å. All Na(1)-Au(1) bond lengths are 3.08 Å. There is one shorter (2.54 Å) and three longer (3.34 Å) Na(1)-Bi(1) bond lengths. Hf(1) is bonded in a distorted single-bond geometry to three equivalent Na(1) and four equivalent Au(1) atoms. There is one shorter (2.54 Å) and three longer (3.34 Å) Hf(1)-Au(1) bond lengths. Au(1) is bonded in a 11-coordinate geometry to three equivalent Na(1), four equivalent Hf(1), and four equivalent Bi(1) atoms. There is one shorter (2.54 Å) and three longer (3.34 Å) Au(1)-Bi(1) bond lengths. Bi(1) is bonded in a 2-coordinate geometry to four equivalent Na(1) and four equivalent Au(1) atoms.