data_Fe4GePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4GePt
_chemical_formula_sum   'Fe4 Ge1 Pt1'
_cell_volume   79.53
_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  0.56  0.56  0.27  1.0
  Fe  Fe1  1  0.56  0.27  0.56  1.0
  Fe  Fe2  1  0.27  0.56  0.56  1.0
  Fe  Fe3  1  0.27  0.27  0.27  1.0
  Ge  Ge4  1  0.0  0.0  0.0  1.0
  Pt  Pt5  1  0.71  0.71  0.71  1.0

data_Fe4GePt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   11.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Fe4GePt
_chemical_formula_sum   'Fe12 Ge3 Pt3'
_cell_volume   238.58
_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  0.19  0.09  0.54  1.0
  Fe  Fe1  3  0.0  0.0  0.73  1.0
  Ge  Ge2  3  0.0  0.0  0.0  1.0
  Pt  Pt3  3  0.0  0.0  0.29  1.0

Fe Fe Fe Fe Ge Pt
Fe4PtGe 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 Ge(1) atoms. Both Fe(1)-Fe(1) bond lengths are 1.37 Å. There is one shorter (2.38 Å) and two longer (3.01 Å) Fe(1)-Fe(2) bond lengths. The Fe(1)-Pt(1) bond length is 2.25 Å. There are two shorter (2.91 Å) and one longer (3.15 Å) Fe(1)-Ge(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 Ge(1) atoms. All Fe(2)-Pt(1) bond lengths are 3.04 Å. There are three shorter (2.88 Å) and one longer (3.21 Å) Fe(2)-Ge(1) bond length. Pt(1) is bonded in a 3-coordinate geometry to three equivalent Fe(1), three equivalent Fe(2), and three equivalent Ge(1) atoms. All Pt(1)-Ge(1) bond lengths are 2.83 Å. Ge(1) is bonded in a 16-coordinate geometry to four equivalent Fe(2), nine equivalent Fe(1), and three equivalent Pt(1) atoms.