data_HfRe2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfRe2Sn
_chemical_formula_sum   'Hf1 Re2 Sn1'
_cell_volume   70.01
_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
  Hf  Hf0  1  0.27  0.27  0.27  1.0
  Re  Re1  1  0.64  0.64  0.64  1.0
  Re  Re2  1  0.91  0.91  0.91  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0

data_HfRe2Sn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   11.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfRe2Sn
_chemical_formula_sum   'Hf3 Re6 Sn3'
_cell_volume   210.03
_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
  Hf  Hf0  3  0.0  0.0  0.73  1.0
  Re  Re1  3  0.0  0.0  0.09  1.0
  Re  Re2  3  0.0  0.0  0.36  1.0
  Sn  Sn3  3  0.0  0.0  -0.0  1.0

Hf Re Re Sn
HfRe2Sn crystallizes in the trigonal R3m space group. Hf(1) is bonded in a 10-coordinate geometry to three equivalent Re(1), three equivalent Re(2), and four equivalent Sn(1) atoms. All Hf(1)-Re(1) bond lengths are 2.69 Å. All Hf(1)-Re(2) bond lengths are 2.69 Å. There are three shorter (2.76 Å) and one longer (3.07 Å) Hf(1)-Sn(1) bond length. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 3-coordinate geometry to three equivalent Hf(1) atoms. In the second Re site, Re(2) is bonded in a single-bond geometry to three equivalent Hf(1) and one Sn(1) atom. The Re(2)-Sn(1) bond length is 1.06 Å. Sn(1) is bonded in a single-bond geometry to four equivalent Hf(1) and one Re(2) atom.