data_Fe4PdPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4PdPt
_chemical_formula_sum   'Fe4 Pd1 Pt1'
_cell_volume   78.01
_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
  Fe  Fe0  1  0.54  0.54  0.24  1.0
  Fe  Fe1  1  0.54  0.24  0.54  1.0
  Fe  Fe2  1  0.24  0.54  0.54  1.0
  Fe  Fe3  1  0.24  0.24  0.24  1.0
  Pd  Pd4  1  0.0  0.0  0.0  1.0
  Pt  Pt5  1  0.7  0.7  0.7  1.0

data_Fe4PdPt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   11.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Fe4PdPt
_chemical_formula_sum   'Fe12 Pd3 Pt3'
_cell_volume   234.04
_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
  Fe  Fe0  9  0.2  0.1  0.56  1.0
  Fe  Fe1  3  0.0  0.0  0.76  1.0
  Pd  Pd2  3  0.0  0.0  0.0  1.0
  Pt  Pt3  3  0.0  0.0  0.3  1.0

Fe Fe Fe Fe Pd Pt
Fe4PtPd crystallizes in the trigonal R3m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 3-coordinate geometry to two equivalent Fe(1), three equivalent Fe(2), one Pt(1), and three equivalent Pd(1) atoms. Both Fe(1)-Fe(1) bond lengths are 1.45 Å. There is one shorter (2.51 Å) and two longer (2.91 Å) Fe(1)-Fe(2) bond lengths. The Fe(1)-Pt(1) bond length is 2.15 Å. There are two shorter (2.77 Å) and one longer (3.27 Å) Fe(1)-Pd(1) bond length. In the second Fe site, Fe(2) is bonded in a 16-coordinate geometry to nine equivalent Fe(1), three equivalent Pt(1), and four equivalent Pd(1) atoms. All Fe(2)-Pt(1) bond lengths are 3.12 Å. There is one shorter (2.82 Å) and three longer (2.98 Å) Fe(2)-Pd(1) bond lengths. Pt(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Fe(1), three equivalent Fe(2), and three equivalent Pd(1) atoms. All Pt(1)-Pd(1) bond lengths are 2.79 Å. Pd(1) is bonded in a 16-coordinate geometry to four equivalent Fe(2), nine equivalent Fe(1), and three equivalent Pt(1) atoms.