data_FeRe2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.96
_cell_length_b   8.96
_cell_length_c   8.96
_cell_angle_alpha   18.28
_cell_angle_beta   18.28
_cell_angle_gamma   18.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeRe2Sn
_chemical_formula_sum   'Fe1 Re2 Sn1'
_cell_volume   61.89
_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  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.0  0.84  1.0
  Re  Re2  1  0.0  0.0  0.6  1.0
  Sn  Sn3  1  0.0  0.0  0.22  1.0

data_FeRe2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.93
_cell_length_b   2.85
_cell_length_c   8.96
_cell_angle_alpha   90.0
_cell_angle_beta   100.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeRe2Sn
_chemical_formula_sum   'Fe2 Re4 Sn2'
_cell_volume   123.77
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Re  Re1  2  0.0  0.0  0.16  1.0
  Re  Re2  2  0.0  0.0  0.4  1.0
  Sn  Sn3  2  0.0  0.0  0.78  1.0

Fe Re Re Sn
Re2FeSn crystallizes in the monoclinic Cm space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a distorted single-bond geometry to one Re(2) and one Fe(1) atom. The Re(1)-Re(2) bond length is 2.21 Å. The Re(1)-Fe(1) bond length is 1.42 Å. In the second Re site, Re(2) is bonded in a distorted single-bond geometry to one Re(1), six equivalent Re(2), and one Sn(1) atom. All Re(2)-Re(2) bond lengths are 2.85 Å. The Re(2)-Sn(1) bond length is 3.38 Å. Fe(1) is bonded in a linear geometry to one Re(1) and one Sn(1) atom. The Fe(1)-Sn(1) bond length is 1.96 Å. Sn(1) is bonded in a single-bond geometry to one Re(2) and one Fe(1) atom.