data_Fe4BiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4BiPt
_chemical_formula_sum   'Fe4 Bi1 Pt1'
_cell_volume   87.99
_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  Fe1  1  0.65  0.65  0.41  1.0
  Fe  Fe2  1  0.65  0.41  0.65  1.0
  Fe  Fe3  1  0.41  0.65  0.65  1.0
  Fe  Fe4  1  0.41  0.41  0.41  1.0
  Bi  Bi0  1  0.77  0.77  0.77  1.0
  Pt  Pt5  1  0.0  0.0  0.0  1.0

data_Fe4BiPt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   12.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Fe4BiPt
_chemical_formula_sum   'Fe12 Bi3 Pt3'
_cell_volume   263.97
_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  0.15  0.08  0.43  1.0
  Fe  Fe1  3  0.0  0.0  0.59  1.0
  Bi  Bi2  3  0.0  0.0  0.23  1.0
  Pt  Pt3  3  0.0  0.0  0.0  1.0

Fe Fe Fe Fe Bi Pt
Fe Fe Fe Fe Bi Pt 0 1 o o o 0 2 o o o 0 3 o o o 0 4 o o o 0 4 o o - 0 5 + + o 1 2 o o o 1 3 o o o 1 4 o o o 1 4 o - o 1 5 + o + 2 3 o o o 2 4 o o o 2 4 - o o 2 5 o + + 3 4 o o - 3 4 o - o 3 4 - o o 3 5 + o o 3 5 o + o 3 5 o o + 4 5 + o + 4 5 o + + 4 5 + + o 4 5 + + + 
Fe4PtBi crystallizes in the trigonal R3m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one Fe(2), two equivalent Fe(1), one Pt(1), and two equivalent Bi(1) atoms. The Fe(1)-Fe(2) bond length is 2.01 Å. Both Fe(1)-Fe(1) bond lengths are 1.16 Å. The Fe(1)-Pt(1) bond length is 2.52 Å. There is one shorter (2.49 Å) and one longer (2.78 Å) Fe(1)-Bi(1) bond length. In the second Fe site, Fe(2) is bonded in a 9-coordinate geometry to three equivalent Fe(1), three equivalent Pt(1), and three equivalent Bi(1) atoms. All Fe(2)-Pt(1) bond lengths are 3.05 Å. All Fe(2)-Bi(1) bond lengths are 2.89 Å. Pt(1) is bonded in a 10-coordinate geometry to three equivalent Fe(1), three equivalent Fe(2), and four equivalent Bi(1) atoms. There is one shorter (2.87 Å) and three longer (3.12 Å) Pt(1)-Bi(1) bond lengths. Bi(1) is bonded in a 13-coordinate geometry to three equivalent Fe(2), six equivalent Fe(1), and four equivalent Pt(1) atoms.