The material structure described by Mg6CuSn crystallizes in the orthorhombic Amm2 space group. There are four 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 Cu(1), and two equivalent Sn(1) atoms to form distorted MgMg8Cu2Sn2 cuboctahedra that share corners with four equivalent Mg(3)Mg4Cu2 cuboctahedra, corners with four equivalent Cu(1)Mg10Sn2 cuboctahedra, corners with four equivalent Sn(1)Mg10Cu2 cuboctahedra, corners with ten equivalent Mg(1)Mg8Cu2Sn2 cuboctahedra, edges with two equivalent Mg(3)Mg4Cu2 cuboctahedra, edges with two equivalent Mg(1)Mg8Cu2Sn2 cuboctahedra, edges with two equivalent Cu(1)Mg10Sn2 cuboctahedra, edges with two equivalent Sn(1)Mg10Cu2 cuboctahedra, faces with two equivalent Cu(1)Mg10Sn2 cuboctahedra, faces with two equivalent Sn(1)Mg10Cu2 cuboctahedra, and faces with four equivalent Mg(1)Mg8Cu2Sn2 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent Mg(1), two equivalent Cu(1), and two equivalent Sn(1) atoms. In the third Mg site, Mg(3) is bonded to four equivalent Mg(1) and two equivalent Cu(1) atoms to form distorted MgMg4Cu2 cuboctahedra that share corners with four equivalent Cu(1)Mg10Sn2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Cu2Sn2 cuboctahedra, edges with two equivalent Cu(1)Mg10Sn2 cuboctahedra, edges with four equivalent Mg(1)Mg8Cu2Sn2 cuboctahedra, edges with six equivalent Sn(1)Mg10Cu2 cuboctahedra, and faces with two equivalent Mg(3)Mg4Cu2 cuboctahedra. In the fourth Mg site, Mg(4) is bonded in a distorted water-like geometry to four equivalent Mg(1) and two equivalent Sn(1) atoms. Cu(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Sn(1) atoms to form CuMg10Sn2 cuboctahedra that share corners with four equivalent Mg(3)Mg4Cu2 cuboctahedra, corners with four equivalent Sn(1)Mg10Cu2 cuboctahedra, corners with six equivalent Cu(1)Mg10Sn2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Cu2Sn2 cuboctahedra, edges with two equivalent Mg(3)Mg4Cu2 cuboctahedra, edges with two equivalent Sn(1)Mg10Cu2 cuboctahedra, edges with four equivalent Mg(1)Mg8Cu2Sn2 cuboctahedra, faces with two equivalent Cu(1)Mg10Sn2 cuboctahedra, faces with two equivalent Sn(1)Mg10Cu2 cuboctahedra, and faces with four equivalent Mg(1)Mg8Cu2Sn2 cuboctahedra. Sn(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Cu(1) atoms to form SnMg10Cu2 cuboctahedra that share corners with four equivalent Cu(1)Mg10Sn2 cuboctahedra, corners with six equivalent Sn(1)Mg10Cu2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Cu2Sn2 cuboctahedra, edges with two equivalent Cu(1)Mg10Sn2 cuboctahedra, edges with four equivalent Mg(1)Mg8Cu2Sn2 cuboctahedra, edges with six equivalent Mg(3)Mg4Cu2 cuboctahedra, faces with two equivalent Cu(1)Mg10Sn2 cuboctahedra, faces with two equivalent Sn(1)Mg10Cu2 cuboctahedra, and faces with four equivalent Mg(1)Mg8Cu2Sn2 cuboctahedra. is represented by the CIF file [CIF]
data_Mg6CuSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.940
_cell_length_b   6.243
_cell_length_c   6.243
_cell_angle_alpha   119.014
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   168.395
_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
  Cu  Cu0  1  0.500  0.167  0.833  1.0
  Mg  Mg1  1  0.500  0.167  0.335  1.0
  Mg  Mg2  1  0.500  0.665  0.833  1.0
  Mg  Mg3  1  0.000  0.324  0.153  1.0
  Mg  Mg4  1  1.000  0.847  0.676  1.0
  Mg  Mg5  1  0.000  0.328  0.672  1.0
  Mg  Mg6  1  0.000  0.835  0.165  1.0
  Sn  Sn7  1  0.500  0.667  0.333  1.0
[/CIF]
.
The material structure described by Mg6CuSn crystallizes in the orthorhombic Amm2 space group. There are four 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 Cu(1), and two equivalent Sn(1) atoms to form distorted MgMg8Cu2Sn2 cuboctahedra that share corners with four equivalent Mg(3)Mg4Cu2 cuboctahedra, corners with four equivalent Cu(1)Mg10Sn2 cuboctahedra, corners with four equivalent Sn(1)Mg10Cu2 cuboctahedra, corners with ten equivalent Mg(1)Mg8Cu2Sn2 cuboctahedra, edges with two equivalent Mg(3)Mg4Cu2 cuboctahedra, edges with two equivalent Mg(1)Mg8Cu2Sn2 cuboctahedra, edges with two equivalent Cu(1)Mg10Sn2 cuboctahedra, edges with two equivalent Sn(1)Mg10Cu2 cuboctahedra, faces with two equivalent Cu(1)Mg10Sn2 cuboctahedra, faces with two equivalent Sn(1)Mg10Cu2 cuboctahedra, and faces with four equivalent Mg(1)Mg8Cu2Sn2 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent Mg(1), two equivalent Cu(1), and two equivalent Sn(1) atoms. In the third Mg site, Mg(3) is bonded to four equivalent Mg(1) and two equivalent Cu(1) atoms to form distorted MgMg4Cu2 cuboctahedra that share corners with four equivalent Cu(1)Mg10Sn2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Cu2Sn2 cuboctahedra, edges with two equivalent Cu(1)Mg10Sn2 cuboctahedra, edges with four equivalent Mg(1)Mg8Cu2Sn2 cuboctahedra, edges with six equivalent Sn(1)Mg10Cu2 cuboctahedra, and faces with two equivalent Mg(3)Mg4Cu2 cuboctahedra. In the fourth Mg site, Mg(4) is bonded in a distorted water-like geometry to four equivalent Mg(1) and two equivalent Sn(1) atoms. Cu(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Sn(1) atoms to form CuMg10Sn2 cuboctahedra that share corners with four equivalent Mg(3)Mg4Cu2 cuboctahedra, corners with four equivalent Sn(1)Mg10Cu2 cuboctahedra, corners with six equivalent Cu(1)Mg10Sn2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Cu2Sn2 cuboctahedra, edges with two equivalent Mg(3)Mg4Cu2 cuboctahedra, edges with two equivalent Sn(1)Mg10Cu2 cuboctahedra, edges with four equivalent Mg(1)Mg8Cu2Sn2 cuboctahedra, faces with two equivalent Cu(1)Mg10Sn2 cuboctahedra, faces with two equivalent Sn(1)Mg10Cu2 cuboctahedra, and faces with four equivalent Mg(1)Mg8Cu2Sn2 cuboctahedra. Sn(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Cu(1) atoms to form SnMg10Cu2 cuboctahedra that share corners with four equivalent Cu(1)Mg10Sn2 cuboctahedra, corners with six equivalent Sn(1)Mg10Cu2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Cu2Sn2 cuboctahedra, edges with two equivalent Cu(1)Mg10Sn2 cuboctahedra, edges with four equivalent Mg(1)Mg8Cu2Sn2 cuboctahedra, edges with six equivalent Mg(3)Mg4Cu2 cuboctahedra, faces with two equivalent Cu(1)Mg10Sn2 cuboctahedra, faces with two equivalent Sn(1)Mg10Cu2 cuboctahedra, and faces with four equivalent Mg(1)Mg8Cu2Sn2 cuboctahedra. is represented by the CIF file [CIF]
data_Mg6CuSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.940
_cell_length_b   6.243
_cell_length_c   6.243
_cell_angle_alpha   119.014
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   168.395
_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
  Cu  Cu0  1  0.500  0.167  0.833  1.0
  Mg  Mg1  1  0.500  0.167  0.335  1.0
  Mg  Mg2  1  0.500  0.665  0.833  1.0
  Mg  Mg3  1  0.000  0.324  0.153  1.0
  Mg  Mg4  1  1.000  0.847  0.676  1.0
  Mg  Mg5  1  0.000  0.328  0.672  1.0
  Mg  Mg6  1  0.000  0.835  0.165  1.0
  Sn  Sn7  1  0.500  0.667  0.333  1.0
[/CIF]
.