data_Fe2SiSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   3.31
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   95.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2SiSn
_chemical_formula_sum   'Fe2 Si1 Sn1'
_cell_volume   55.82
_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  0.29  0.66  0.65  1.0
  Fe  Fe1  1  0.98  0.66  0.21  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.7  0.0  0.93  1.0

data_Fe2SiSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   3.31
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   95.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2SiSn
_chemical_formula_sum   'Fe2 Si1 Sn1'
_cell_volume   55.82
_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  0.29  0.66  0.65  1.0
  Fe  Fe1  1  0.98  0.66  0.21  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.7  0.0  0.93  1.0

Fe Fe Si Sn
Fe Fe Si Sn 0 1 - o o 0 2 o + + 0 2 + + + 0 3 - + o 0 3 o o o 0 3 o + o 0 0 + o o 1 2 + + o 2 3 - o - 
Fe2SnSi is alpha Niobium phosphide-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Fe2SnSi cluster. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted single-bond geometry to one Sn(1) atom. The Fe(1)-Sn(1) bond length is 2.24 Å. In the second Fe site, Fe(2) is bonded in a distorted single-bond geometry to one Si(1) atom. The Fe(2)-Si(1) bond length is 1.71 Å. Sn(1) is bonded in a distorted single-bond geometry to one Fe(1) and one Si(1) atom. The Sn(1)-Si(1) bond length is 0.91 Å. Si(1) is bonded in a distorted single-bond geometry to one Fe(2) and one Sn(1) atom.