data_NaFePdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaFePdAu
_chemical_formula_sum   'Na1 Fe1 Pd1 Au1'
_cell_volume   66.2
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.21  0.21  0.21  1.0
  Pd  Pd3  1  0.61  0.61  0.61  1.0
  Au  Au0  1  0.82  0.82  0.82  1.0

data_NaFePdAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   11.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaFePdAu
_chemical_formula_sum   'Na3 Fe3 Pd3 Au3'
_cell_volume   198.6
_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
  Na  Na0  3  0.0  0.0  0.0  1.0
  Fe  Fe1  3  0.0  0.0  0.79  1.0
  Pd  Pd2  3  0.0  0.0  0.39  1.0
  Au  Au3  3  0.0  0.0  0.18  1.0

Na Fe Pd Au
NaFePdAu crystallizes in the trigonal R3m space group. Na(1) is bonded in a 1-coordinate geometry to four equivalent Fe(1), three equivalent Pd(1), and one Au(1) atom. There is one shorter (2.34 Å) and three longer (2.95 Å) Na(1)-Fe(1) bond lengths. All Na(1)-Pd(1) bond lengths are 2.71 Å. The Na(1)-Au(1) bond length is 2.05 Å. Fe(1) is bonded in a 10-coordinate geometry to four equivalent Na(1), three equivalent Pd(1), and three equivalent Au(1) atoms. All Fe(1)-Pd(1) bond lengths are 2.71 Å. All Fe(1)-Au(1) bond lengths are 2.71 Å. Pd(1) is bonded in a 10-coordinate geometry to three equivalent Na(1), three equivalent Fe(1), and four equivalent Au(1) atoms. There is one shorter (2.34 Å) and three longer (2.95 Å) Pd(1)-Au(1) bond lengths. Au(1) is bonded in a distorted single-bond geometry to one Na(1), three equivalent Fe(1), and four equivalent Pd(1) atoms.