data_MgFe2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   4.18
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   104.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgFe2Sn
_chemical_formula_sum   'Mg1 Fe2 Sn1'
_cell_volume   65.23
_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
  Mg  Mg2  1  0.13  0.0  0.41  1.0
  Fe  Fe0  1  0.32  0.0  0.08  1.0
  Fe  Fe1  1  0.8  0.09  0.27  1.0
  Sn  Sn3  1  0.63  0.09  0.14  1.0

data_MgFe2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.18
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   104.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgFe2Sn
_chemical_formula_sum   'Mg1 Fe2 Sn1'
_cell_volume   65.23
_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
  Mg  Mg0  1  0.13  0.0  0.41  1.0
  Fe  Fe1  1  0.32  0.0  0.08  1.0
  Fe  Fe2  1  0.8  0.09  0.27  1.0
  Sn  Sn3  1  0.63  0.09  0.14  1.0

Mg Fe Fe Sn
MgFe2Sn crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgFe2Sn cluster. Mg(1) is bonded in a distorted single-bond geometry to one Fe(2) atom. The Mg(1)-Fe(2) bond length is 1.14 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 1-coordinate geometry to one Sn(1) atom. The Fe(1)-Sn(1) bond length is 0.97 Å. In the second Fe site, Fe(2) is bonded in a bent 150 degrees geometry to one Mg(1) and one Sn(1) atom. The Fe(2)-Sn(1) bond length is 0.77 Å. Sn(1) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one Fe(2) atom.