data_Hf2FeSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2FeSn
_chemical_formula_sum   'Hf2 Fe1 Sn1'
_cell_volume   73.88
_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
  Hf  Hf1  1  0.33  0.33  0.33  1.0
  Hf  Hf2  1  0.67  0.67  0.67  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  1.0  1.0  1.0  1.0

data_Hf2FeSn
_symmetry_space_group_name_H-M   R-3m
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   11.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   166
_chemical_formula_structural   Hf2FeSn
_chemical_formula_sum   'Hf6 Fe3 Sn3'
_cell_volume   221.65
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-y, x-y, z'
  4  'y, -x+y, -z'
  5  '-x+y, -x, z'
  6  'x-y, x, -z'
  7  'y, x, -z'
  8  '-y, -x, z'
  9  'x-y, -y, -z'
  10  '-x+y, y, z'
  11  '-x, -x+y, -z'
  12  'x, x-y, z'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-x+1/3, -y+2/3, -z+2/3'
  15  '-y+1/3, x-y+2/3, z+2/3'
  16  'y+1/3, -x+y+2/3, -z+2/3'
  17  '-x+y+1/3, -x+2/3, z+2/3'
  18  'x-y+1/3, x+2/3, -z+2/3'
  19  'y+1/3, x+2/3, -z+2/3'
  20  '-y+1/3, -x+2/3, z+2/3'
  21  'x-y+1/3, -y+2/3, -z+2/3'
  22  '-x+y+1/3, y+2/3, z+2/3'
  23  '-x+1/3, -x+y+2/3, -z+2/3'
  24  'x+1/3, x-y+2/3, z+2/3'
  25  'x+2/3, y+1/3, z+1/3'
  26  '-x+2/3, -y+1/3, -z+1/3'
  27  '-y+2/3, x-y+1/3, z+1/3'
  28  'y+2/3, -x+y+1/3, -z+1/3'
  29  '-x+y+2/3, -x+1/3, z+1/3'
  30  'x-y+2/3, x+1/3, -z+1/3'
  31  'y+2/3, x+1/3, -z+1/3'
  32  '-y+2/3, -x+1/3, z+1/3'
  33  'x-y+2/3, -y+1/3, -z+1/3'
  34  '-x+y+2/3, y+1/3, z+1/3'
  35  '-x+2/3, -x+y+1/3, -z+1/3'
  36  '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
  Hf  Hf0  6  0.0  0.0  0.33  1.0
  Fe  Fe1  3  0.0  0.0  0.0  1.0
  Sn  Sn2  3  -0.0  -0.0  0.0  1.0

Hf2FeSn crystallizes in the trigonal R3m space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 11-coordinate geometry to four equivalent Hf(2), four equivalent Fe(1), and three equivalent Sn(1) atoms. There are three shorter (2.72 Å) and one longer (3.86 Å) Hf(1)-Hf(2) bond length. There are three shorter (2.72 Å) and one longer (3.81 Å) Hf(1)-Fe(1) bond length. All Hf(1)-Sn(1) bond lengths are 2.72 Å. In the second Hf site, Hf(2) is bonded in a 11-coordinate geometry to four equivalent Hf(1), three equivalent Fe(1), and four equivalent Sn(1) atoms. All Hf(2)-Fe(1) bond lengths are 2.72 Å. There are three shorter (2.72 Å) and one longer (3.81 Å) Hf(2)-Sn(1) bond length. Fe(1) is bonded in a single-bond geometry to three equivalent Hf(2), four equivalent Hf(1), and one Sn(1) atom. The Fe(1)-Sn(1) bond length is 0.05 Å. Sn(1) is bonded in a single-bond geometry to three equivalent Hf(1), four equivalent Hf(2), and one Fe(1) atom.