The material structure described by Mg6FeSn crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Fe(1), and two equivalent Sn(1) atoms to form distorted MgMg8Fe2Sn2 cuboctahedra that share corners with four equivalent Fe(1)Mg10Sn2 cuboctahedra; corners with four equivalent Sn(1)Mg10Fe2 cuboctahedra; corners with ten equivalent Mg(1)Mg8Fe2Sn2 cuboctahedra; edges with two equivalent Mg(1)Mg8Fe2Sn2 cuboctahedra; edges with two equivalent Fe(1)Mg10Sn2 cuboctahedra; edges with two equivalent Sn(1)Mg10Fe2 cuboctahedra; edges with four equivalent Mg(3)Mg10Fe2 cuboctahedra; edges with four equivalent Mg(2)Mg8Fe2Sn2 cuboctahedra; faces with two equivalent Mg(3)Mg10Fe2 cuboctahedra; faces with two equivalent Fe(1)Mg10Sn2 cuboctahedra; faces with two equivalent Sn(1)Mg10Fe2 cuboctahedra; faces with four equivalent Mg(1)Mg8Fe2Sn2 cuboctahedra; and faces with eight Mg(2,2)Mg8Fe2Sn2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Fe(1), and two equivalent Sn(1) atoms to form distorted MgMg8Fe2Sn2 cuboctahedra that share corners with four equivalent Mg(3)Mg10Fe2 cuboctahedra; corners with ten Mg(2,2)Mg8Fe2Sn2 cuboctahedra; edges with two equivalent Mg(3)Mg10Fe2 cuboctahedra; edges with two equivalent Mg(2)Mg8Fe2Sn2 cuboctahedra; edges with four equivalent Mg(1)Mg8Fe2Sn2 cuboctahedra; edges with four equivalent Fe(1)Mg10Sn2 cuboctahedra; edges with four equivalent Sn(1)Mg10Fe2 cuboctahedra; faces with two equivalent Mg(3)Mg10Fe2 cuboctahedra; faces with two equivalent Fe(1)Mg10Sn2 cuboctahedra; faces with two equivalent Sn(1)Mg10Fe2 cuboctahedra; faces with four Mg(2,2)Mg8Fe2Sn2 cuboctahedra; and faces with eight equivalent Mg(1)Mg8Fe2Sn2 cuboctahedra. In the third Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Fe(1), and two equivalent Sn(1) atoms to form distorted MgMg8Fe2Sn2 cuboctahedra that share corners with four equivalent Mg(3)Mg10Fe2 cuboctahedra; corners with ten Mg(2,2)Mg8Fe2Sn2 cuboctahedra; edges with two equivalent Mg(3)Mg10Fe2 cuboctahedra; edges with two equivalent Mg(2)Mg8Fe2Sn2 cuboctahedra; edges with four equivalent Mg(1)Mg8Fe2Sn2 cuboctahedra; edges with four equivalent Fe(1)Mg10Sn2 cuboctahedra; edges with four equivalent Sn(1)Mg10Fe2 cuboctahedra; faces with two equivalent Mg(3)Mg10Fe2 cuboctahedra; faces with two equivalent Fe(1)Mg10Sn2 cuboctahedra; faces with two equivalent Sn(1)Mg10Fe2 cuboctahedra; faces with four Mg(2,2)Mg8Fe2Sn2 cuboctahedra; and faces with eight equivalent Mg(1)Mg8Fe2Sn2 cuboctahedra. In the fourth Mg site, Mg(3) is bonded to two equivalent Mg(4); four equivalent Mg(1); four Mg(2,2); and two equivalent Fe(1) atoms to form distorted MgMg10Fe2 cuboctahedra that share corners with six equivalent Mg(3)Mg10Fe2 cuboctahedra; corners with eight Mg(2,2)Mg8Fe2Sn2 cuboctahedra; edges with four Mg(2,2)Mg8Fe2Sn2 cuboctahedra; edges with four equivalent Fe(1)Mg10Sn2 cuboctahedra; edges with eight equivalent Mg(1)Mg8Fe2Sn2 cuboctahedra; faces with two equivalent Mg(3)Mg10Fe2 cuboctahedra; faces with two equivalent Fe(1)Mg10Sn2 cuboctahedra; faces with four equivalent Mg(1)Mg8Fe2Sn2 cuboctahedra; faces with four Mg(2,2)Mg8Fe2Sn2 cuboctahedra; and faces with six equivalent Sn(1)Mg10Fe2 cuboctahedra. In the fifth Mg site, Mg(4) is bonded in a distorted water-like geometry to two equivalent Mg(3); four equivalent Mg(1); four Mg(2,2); and two equivalent Sn(1) atoms. Fe(1) is bonded to two equivalent Mg(3); four equivalent Mg(1); four Mg(2,2); and two equivalent Sn(1) atoms to form FeMg10Sn2 cuboctahedra that share corners with four equivalent Sn(1)Mg10Fe2 cuboctahedra; corners with six equivalent Fe(1)Mg10Sn2 cuboctahedra; corners with eight equivalent Mg(1)Mg8Fe2Sn2 cuboctahedra; edges with two equivalent Sn(1)Mg10Fe2 cuboctahedra; edges with four equivalent Mg(3)Mg10Fe2 cuboctahedra; edges with four equivalent Mg(1)Mg8Fe2Sn2 cuboctahedra; edges with eight Mg(2,2)Mg8Fe2Sn2 cuboctahedra; faces with two equivalent Mg(3)Mg10Fe2 cuboctahedra; faces with two equivalent Fe(1)Mg10Sn2 cuboctahedra; faces with two equivalent Sn(1)Mg10Fe2 cuboctahedra; faces with four equivalent Mg(1)Mg8Fe2Sn2 cuboctahedra; and faces with four Mg(2,2)Mg8Fe2Sn2 cuboctahedra. Sn(1) is bonded to two equivalent Mg(4); four equivalent Mg(1); four Mg(2,2); and two equivalent Fe(1) atoms to form SnMg10Fe2 cuboctahedra that share corners with four equivalent Fe(1)Mg10Sn2 cuboctahedra; corners with six equivalent Sn(1)Mg10Fe2 cuboctahedra; corners with eight equivalent Mg(1)Mg8Fe2Sn2 cuboctahedra; edges with two equivalent Fe(1)Mg10Sn2 cuboctahedra; edges with four equivalent Mg(1)Mg8Fe2Sn2 cuboctahedra; edges with eight Mg(2,2)Mg8Fe2Sn2 cuboctahedra; faces with two equivalent Fe(1)Mg10Sn2 cuboctahedra; faces with two equivalent Sn(1)Mg10Fe2 cuboctahedra; faces with four equivalent Mg(1)Mg8Fe2Sn2 cuboctahedra; faces with four Mg(2,2)Mg8Fe2Sn2 cuboctahedra; and faces with six equivalent Mg(3)Mg10Fe2 cuboctahedra. is represented by the CIF card [CIF]
data_Mg6FeSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.956
_cell_length_b   6.228
_cell_length_c   6.249
_cell_angle_alpha   119.892
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   167.216
_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  0.500  0.167  0.333  1.0
  Mg  Mg1  1  0.500  0.665  0.833  1.0
  Mg  Mg2  1  0.500  0.167  0.833  1.0
  Mg  Mg3  1  0.000  0.849  0.171  1.0
  Mg  Mg4  1  1.000  0.322  0.171  1.0
  Mg  Mg5  1  0.000  0.326  0.653  1.0
  Mg  Mg6  1  0.000  0.836  0.671  1.0
  Sn  Sn7  1  0.500  0.668  0.335  1.0
[/CIF]
.
The material structure described by Mg6FeSn crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Fe(1), and two equivalent Sn(1) atoms to form distorted MgMg8Fe2Sn2 cuboctahedra that share corners with four equivalent Fe(1)Mg10Sn2 cuboctahedra; corners with four equivalent Sn(1)Mg10Fe2 cuboctahedra; corners with ten equivalent Mg(1)Mg8Fe2Sn2 cuboctahedra; edges with two equivalent Mg(1)Mg8Fe2Sn2 cuboctahedra; edges with two equivalent Fe(1)Mg10Sn2 cuboctahedra; edges with two equivalent Sn(1)Mg10Fe2 cuboctahedra; edges with four equivalent Mg(3)Mg10Fe2 cuboctahedra; edges with four equivalent Mg(2)Mg8Fe2Sn2 cuboctahedra; faces with two equivalent Mg(3)Mg10Fe2 cuboctahedra; faces with two equivalent Fe(1)Mg10Sn2 cuboctahedra; faces with two equivalent Sn(1)Mg10Fe2 cuboctahedra; faces with four equivalent Mg(1)Mg8Fe2Sn2 cuboctahedra; and faces with eight Mg(2,2)Mg8Fe2Sn2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Fe(1), and two equivalent Sn(1) atoms to form distorted MgMg8Fe2Sn2 cuboctahedra that share corners with four equivalent Mg(3)Mg10Fe2 cuboctahedra; corners with ten Mg(2,2)Mg8Fe2Sn2 cuboctahedra; edges with two equivalent Mg(3)Mg10Fe2 cuboctahedra; edges with two equivalent Mg(2)Mg8Fe2Sn2 cuboctahedra; edges with four equivalent Mg(1)Mg8Fe2Sn2 cuboctahedra; edges with four equivalent Fe(1)Mg10Sn2 cuboctahedra; edges with four equivalent Sn(1)Mg10Fe2 cuboctahedra; faces with two equivalent Mg(3)Mg10Fe2 cuboctahedra; faces with two equivalent Fe(1)Mg10Sn2 cuboctahedra; faces with two equivalent Sn(1)Mg10Fe2 cuboctahedra; faces with four Mg(2,2)Mg8Fe2Sn2 cuboctahedra; and faces with eight equivalent Mg(1)Mg8Fe2Sn2 cuboctahedra. In the third Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Fe(1), and two equivalent Sn(1) atoms to form distorted MgMg8Fe2Sn2 cuboctahedra that share corners with four equivalent Mg(3)Mg10Fe2 cuboctahedra; corners with ten Mg(2,2)Mg8Fe2Sn2 cuboctahedra; edges with two equivalent Mg(3)Mg10Fe2 cuboctahedra; edges with two equivalent Mg(2)Mg8Fe2Sn2 cuboctahedra; edges with four equivalent Mg(1)Mg8Fe2Sn2 cuboctahedra; edges with four equivalent Fe(1)Mg10Sn2 cuboctahedra; edges with four equivalent Sn(1)Mg10Fe2 cuboctahedra; faces with two equivalent Mg(3)Mg10Fe2 cuboctahedra; faces with two equivalent Fe(1)Mg10Sn2 cuboctahedra; faces with two equivalent Sn(1)Mg10Fe2 cuboctahedra; faces with four Mg(2,2)Mg8Fe2Sn2 cuboctahedra; and faces with eight equivalent Mg(1)Mg8Fe2Sn2 cuboctahedra. In the fourth Mg site, Mg(3) is bonded to two equivalent Mg(4); four equivalent Mg(1); four Mg(2,2); and two equivalent Fe(1) atoms to form distorted MgMg10Fe2 cuboctahedra that share corners with six equivalent Mg(3)Mg10Fe2 cuboctahedra; corners with eight Mg(2,2)Mg8Fe2Sn2 cuboctahedra; edges with four Mg(2,2)Mg8Fe2Sn2 cuboctahedra; edges with four equivalent Fe(1)Mg10Sn2 cuboctahedra; edges with eight equivalent Mg(1)Mg8Fe2Sn2 cuboctahedra; faces with two equivalent Mg(3)Mg10Fe2 cuboctahedra; faces with two equivalent Fe(1)Mg10Sn2 cuboctahedra; faces with four equivalent Mg(1)Mg8Fe2Sn2 cuboctahedra; faces with four Mg(2,2)Mg8Fe2Sn2 cuboctahedra; and faces with six equivalent Sn(1)Mg10Fe2 cuboctahedra. In the fifth Mg site, Mg(4) is bonded in a distorted water-like geometry to two equivalent Mg(3); four equivalent Mg(1); four Mg(2,2); and two equivalent Sn(1) atoms. Fe(1) is bonded to two equivalent Mg(3); four equivalent Mg(1); four Mg(2,2); and two equivalent Sn(1) atoms to form FeMg10Sn2 cuboctahedra that share corners with four equivalent Sn(1)Mg10Fe2 cuboctahedra; corners with six equivalent Fe(1)Mg10Sn2 cuboctahedra; corners with eight equivalent Mg(1)Mg8Fe2Sn2 cuboctahedra; edges with two equivalent Sn(1)Mg10Fe2 cuboctahedra; edges with four equivalent Mg(3)Mg10Fe2 cuboctahedra; edges with four equivalent Mg(1)Mg8Fe2Sn2 cuboctahedra; edges with eight Mg(2,2)Mg8Fe2Sn2 cuboctahedra; faces with two equivalent Mg(3)Mg10Fe2 cuboctahedra; faces with two equivalent Fe(1)Mg10Sn2 cuboctahedra; faces with two equivalent Sn(1)Mg10Fe2 cuboctahedra; faces with four equivalent Mg(1)Mg8Fe2Sn2 cuboctahedra; and faces with four Mg(2,2)Mg8Fe2Sn2 cuboctahedra. Sn(1) is bonded to two equivalent Mg(4); four equivalent Mg(1); four Mg(2,2); and two equivalent Fe(1) atoms to form SnMg10Fe2 cuboctahedra that share corners with four equivalent Fe(1)Mg10Sn2 cuboctahedra; corners with six equivalent Sn(1)Mg10Fe2 cuboctahedra; corners with eight equivalent Mg(1)Mg8Fe2Sn2 cuboctahedra; edges with two equivalent Fe(1)Mg10Sn2 cuboctahedra; edges with four equivalent Mg(1)Mg8Fe2Sn2 cuboctahedra; edges with eight Mg(2,2)Mg8Fe2Sn2 cuboctahedra; faces with two equivalent Fe(1)Mg10Sn2 cuboctahedra; faces with two equivalent Sn(1)Mg10Fe2 cuboctahedra; faces with four equivalent Mg(1)Mg8Fe2Sn2 cuboctahedra; faces with four Mg(2,2)Mg8Fe2Sn2 cuboctahedra; and faces with six equivalent Mg(3)Mg10Fe2 cuboctahedra. is represented by the CIF card [CIF]
data_Mg6FeSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.956
_cell_length_b   6.228
_cell_length_c   6.249
_cell_angle_alpha   119.892
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   167.216
_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  0.500  0.167  0.333  1.0
  Mg  Mg1  1  0.500  0.665  0.833  1.0
  Mg  Mg2  1  0.500  0.167  0.833  1.0
  Mg  Mg3  1  0.000  0.849  0.171  1.0
  Mg  Mg4  1  1.000  0.322  0.171  1.0
  Mg  Mg5  1  0.000  0.326  0.653  1.0
  Mg  Mg6  1  0.000  0.836  0.671  1.0
  Sn  Sn7  1  0.500  0.668  0.335  1.0
[/CIF]
.