The material structure described by Mg6SnBi 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(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Sn(1), and two equivalent Bi(1) atoms to form distorted MgMg6Sn2Bi2 cuboctahedra that share corners with two equivalent Mg(4)Mg10Bi2 cuboctahedra, corners with two equivalent Mg(3)Mg10Sn2 cuboctahedra, corners with six equivalent Sn(1)Mg10Bi2 cuboctahedra, corners with six equivalent Bi(1)Mg10Sn2 cuboctahedra, corners with eight equivalent Mg(1)Mg6Sn2Bi2 cuboctahedra, edges with two equivalent Mg(4)Mg10Bi2 cuboctahedra, edges with two equivalent Mg(3)Mg10Sn2 cuboctahedra, edges with two equivalent Mg(1)Mg6Sn2Bi2 cuboctahedra, edges with four equivalent Mg(2)Mg8Sn2Bi2 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(3)Mg10Sn2 cuboctahedra, faces with two equivalent Sn(1)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)Mg10Sn2 cuboctahedra, faces with four equivalent Mg(1)Mg6Sn2Bi2 cuboctahedra, and faces with eight equivalent Mg(2)Mg8Sn2Bi2 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 Sn(1), and two equivalent Bi(1) atoms to form distorted MgMg8Sn2Bi2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Bi2 cuboctahedra, corners with four equivalent Mg(3)Mg10Sn2 cuboctahedra, corners with ten equivalent Mg(2)Mg8Sn2Bi2 cuboctahedra, edges with two equivalent Mg(4)Mg10Bi2 cuboctahedra, edges with two equivalent Mg(3)Mg10Sn2 cuboctahedra, edges with two equivalent Mg(2)Mg8Sn2Bi2 cuboctahedra, edges with four equivalent Mg(1)Mg6Sn2Bi2 cuboctahedra, edges with four equivalent Sn(1)Mg10Bi2 cuboctahedra, edges with four equivalent Bi(1)Mg10Sn2 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(3)Mg10Sn2 cuboctahedra, faces with two equivalent Sn(1)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)Mg10Sn2 cuboctahedra, faces with four equivalent Mg(2)Mg8Sn2Bi2 cuboctahedra, and faces with eight equivalent Mg(1)Mg6Sn2Bi2 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Sn(1) atoms to form distorted MgMg10Sn2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Bi2 cuboctahedra, corners with four equivalent Mg(1)Mg6Sn2Bi2 cuboctahedra, corners with six equivalent Mg(3)Mg10Sn2 cuboctahedra, corners with eight equivalent Mg(2)Mg8Sn2Bi2 cuboctahedra, edges with two equivalent Mg(4)Mg10Bi2 cuboctahedra, edges with four equivalent Mg(1)Mg6Sn2Bi2 cuboctahedra, edges with four equivalent Mg(2)Mg8Sn2Bi2 cuboctahedra, edges with four equivalent Sn(1)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(3)Mg10Sn2 cuboctahedra, faces with two equivalent Sn(1)Mg10Bi2 cuboctahedra, faces with four equivalent Mg(1)Mg6Sn2Bi2 cuboctahedra, faces with four equivalent Mg(2)Mg8Sn2Bi2 cuboctahedra, and faces with six equivalent Bi(1)Mg10Sn2 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Bi(1) atoms to form distorted MgMg10Bi2 cuboctahedra that share corners with four equivalent Mg(3)Mg10Sn2 cuboctahedra, corners with four equivalent Mg(1)Mg6Sn2Bi2 cuboctahedra, corners with six equivalent Mg(4)Mg10Bi2 cuboctahedra, corners with eight equivalent Mg(2)Mg8Sn2Bi2 cuboctahedra, edges with two equivalent Mg(3)Mg10Sn2 cuboctahedra, edges with four equivalent Mg(1)Mg6Sn2Bi2 cuboctahedra, edges with four equivalent Mg(2)Mg8Sn2Bi2 cuboctahedra, edges with four equivalent Bi(1)Mg10Sn2 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(3)Mg10Sn2 cuboctahedra, faces with two equivalent Bi(1)Mg10Sn2 cuboctahedra, faces with four equivalent Mg(1)Mg6Sn2Bi2 cuboctahedra, faces with four equivalent Mg(2)Mg8Sn2Bi2 cuboctahedra, and faces with six equivalent Sn(1)Mg10Bi2 cuboctahedra. Sn(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Bi(1) atoms to form SnMg10Bi2 cuboctahedra that share corners with four equivalent Bi(1)Mg10Sn2 cuboctahedra, corners with six equivalent Sn(1)Mg10Bi2 cuboctahedra, corners with twelve equivalent Mg(1)Mg6Sn2Bi2 cuboctahedra, edges with two equivalent Bi(1)Mg10Sn2 cuboctahedra, edges with four equivalent Mg(3)Mg10Sn2 cuboctahedra, edges with eight equivalent Mg(2)Mg8Sn2Bi2 cuboctahedra, faces with two equivalent Mg(3)Mg10Sn2 cuboctahedra, faces with two equivalent Sn(1)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)Mg10Sn2 cuboctahedra, faces with four equivalent Mg(1)Mg6Sn2Bi2 cuboctahedra, faces with four equivalent Mg(2)Mg8Sn2Bi2 cuboctahedra, and faces with six equivalent Mg(4)Mg10Bi2 cuboctahedra. Bi(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Sn(1) atoms to form BiMg10Sn2 cuboctahedra that share corners with four equivalent Sn(1)Mg10Bi2 cuboctahedra, corners with six equivalent Bi(1)Mg10Sn2 cuboctahedra, corners with twelve equivalent Mg(1)Mg6Sn2Bi2 cuboctahedra, edges with two equivalent Sn(1)Mg10Bi2 cuboctahedra, edges with four equivalent Mg(4)Mg10Bi2 cuboctahedra, edges with eight equivalent Mg(2)Mg8Sn2Bi2 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Sn(1)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)Mg10Sn2 cuboctahedra, faces with four equivalent Mg(1)Mg6Sn2Bi2 cuboctahedra, faces with four equivalent Mg(2)Mg8Sn2Bi2 cuboctahedra, and faces with six equivalent Mg(3)Mg10Sn2 cuboctahedra. is represented by the CIF card [CIF]
data_Mg6SnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.318
_cell_length_b   6.475
_cell_length_c   6.475
_cell_angle_alpha   118.426
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.118
_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
  Bi  Bi0  1  0.500  0.667  0.333  1.0
  Mg  Mg1  1  0.500  0.166  0.334  1.0
  Mg  Mg2  1  0.500  0.666  0.834  1.0
  Mg  Mg3  1  0.000  0.329  0.165  1.0
  Mg  Mg4  1  1.000  0.835  0.671  1.0
  Mg  Mg5  1  0.000  0.334  0.666  1.0
  Mg  Mg6  1  0.000  0.836  0.164  1.0
  Sn  Sn7  1  0.500  0.167  0.833  1.0
[/CIF]
.
The material structure described by Mg6SnBi 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(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Sn(1), and two equivalent Bi(1) atoms to form distorted MgMg6Sn2Bi2 cuboctahedra that share corners with two equivalent Mg(4)Mg10Bi2 cuboctahedra, corners with two equivalent Mg(3)Mg10Sn2 cuboctahedra, corners with six equivalent Sn(1)Mg10Bi2 cuboctahedra, corners with six equivalent Bi(1)Mg10Sn2 cuboctahedra, corners with eight equivalent Mg(1)Mg6Sn2Bi2 cuboctahedra, edges with two equivalent Mg(4)Mg10Bi2 cuboctahedra, edges with two equivalent Mg(3)Mg10Sn2 cuboctahedra, edges with two equivalent Mg(1)Mg6Sn2Bi2 cuboctahedra, edges with four equivalent Mg(2)Mg8Sn2Bi2 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(3)Mg10Sn2 cuboctahedra, faces with two equivalent Sn(1)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)Mg10Sn2 cuboctahedra, faces with four equivalent Mg(1)Mg6Sn2Bi2 cuboctahedra, and faces with eight equivalent Mg(2)Mg8Sn2Bi2 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 Sn(1), and two equivalent Bi(1) atoms to form distorted MgMg8Sn2Bi2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Bi2 cuboctahedra, corners with four equivalent Mg(3)Mg10Sn2 cuboctahedra, corners with ten equivalent Mg(2)Mg8Sn2Bi2 cuboctahedra, edges with two equivalent Mg(4)Mg10Bi2 cuboctahedra, edges with two equivalent Mg(3)Mg10Sn2 cuboctahedra, edges with two equivalent Mg(2)Mg8Sn2Bi2 cuboctahedra, edges with four equivalent Mg(1)Mg6Sn2Bi2 cuboctahedra, edges with four equivalent Sn(1)Mg10Bi2 cuboctahedra, edges with four equivalent Bi(1)Mg10Sn2 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(3)Mg10Sn2 cuboctahedra, faces with two equivalent Sn(1)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)Mg10Sn2 cuboctahedra, faces with four equivalent Mg(2)Mg8Sn2Bi2 cuboctahedra, and faces with eight equivalent Mg(1)Mg6Sn2Bi2 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Sn(1) atoms to form distorted MgMg10Sn2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Bi2 cuboctahedra, corners with four equivalent Mg(1)Mg6Sn2Bi2 cuboctahedra, corners with six equivalent Mg(3)Mg10Sn2 cuboctahedra, corners with eight equivalent Mg(2)Mg8Sn2Bi2 cuboctahedra, edges with two equivalent Mg(4)Mg10Bi2 cuboctahedra, edges with four equivalent Mg(1)Mg6Sn2Bi2 cuboctahedra, edges with four equivalent Mg(2)Mg8Sn2Bi2 cuboctahedra, edges with four equivalent Sn(1)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(3)Mg10Sn2 cuboctahedra, faces with two equivalent Sn(1)Mg10Bi2 cuboctahedra, faces with four equivalent Mg(1)Mg6Sn2Bi2 cuboctahedra, faces with four equivalent Mg(2)Mg8Sn2Bi2 cuboctahedra, and faces with six equivalent Bi(1)Mg10Sn2 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Bi(1) atoms to form distorted MgMg10Bi2 cuboctahedra that share corners with four equivalent Mg(3)Mg10Sn2 cuboctahedra, corners with four equivalent Mg(1)Mg6Sn2Bi2 cuboctahedra, corners with six equivalent Mg(4)Mg10Bi2 cuboctahedra, corners with eight equivalent Mg(2)Mg8Sn2Bi2 cuboctahedra, edges with two equivalent Mg(3)Mg10Sn2 cuboctahedra, edges with four equivalent Mg(1)Mg6Sn2Bi2 cuboctahedra, edges with four equivalent Mg(2)Mg8Sn2Bi2 cuboctahedra, edges with four equivalent Bi(1)Mg10Sn2 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(3)Mg10Sn2 cuboctahedra, faces with two equivalent Bi(1)Mg10Sn2 cuboctahedra, faces with four equivalent Mg(1)Mg6Sn2Bi2 cuboctahedra, faces with four equivalent Mg(2)Mg8Sn2Bi2 cuboctahedra, and faces with six equivalent Sn(1)Mg10Bi2 cuboctahedra. Sn(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Bi(1) atoms to form SnMg10Bi2 cuboctahedra that share corners with four equivalent Bi(1)Mg10Sn2 cuboctahedra, corners with six equivalent Sn(1)Mg10Bi2 cuboctahedra, corners with twelve equivalent Mg(1)Mg6Sn2Bi2 cuboctahedra, edges with two equivalent Bi(1)Mg10Sn2 cuboctahedra, edges with four equivalent Mg(3)Mg10Sn2 cuboctahedra, edges with eight equivalent Mg(2)Mg8Sn2Bi2 cuboctahedra, faces with two equivalent Mg(3)Mg10Sn2 cuboctahedra, faces with two equivalent Sn(1)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)Mg10Sn2 cuboctahedra, faces with four equivalent Mg(1)Mg6Sn2Bi2 cuboctahedra, faces with four equivalent Mg(2)Mg8Sn2Bi2 cuboctahedra, and faces with six equivalent Mg(4)Mg10Bi2 cuboctahedra. Bi(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Sn(1) atoms to form BiMg10Sn2 cuboctahedra that share corners with four equivalent Sn(1)Mg10Bi2 cuboctahedra, corners with six equivalent Bi(1)Mg10Sn2 cuboctahedra, corners with twelve equivalent Mg(1)Mg6Sn2Bi2 cuboctahedra, edges with two equivalent Sn(1)Mg10Bi2 cuboctahedra, edges with four equivalent Mg(4)Mg10Bi2 cuboctahedra, edges with eight equivalent Mg(2)Mg8Sn2Bi2 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Sn(1)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)Mg10Sn2 cuboctahedra, faces with four equivalent Mg(1)Mg6Sn2Bi2 cuboctahedra, faces with four equivalent Mg(2)Mg8Sn2Bi2 cuboctahedra, and faces with six equivalent Mg(3)Mg10Sn2 cuboctahedra. is represented by the CIF card [CIF]
data_Mg6SnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.318
_cell_length_b   6.475
_cell_length_c   6.475
_cell_angle_alpha   118.426
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.118
_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
  Bi  Bi0  1  0.500  0.667  0.333  1.0
  Mg  Mg1  1  0.500  0.166  0.334  1.0
  Mg  Mg2  1  0.500  0.666  0.834  1.0
  Mg  Mg3  1  0.000  0.329  0.165  1.0
  Mg  Mg4  1  1.000  0.835  0.671  1.0
  Mg  Mg5  1  0.000  0.334  0.666  1.0
  Mg  Mg6  1  0.000  0.836  0.164  1.0
  Sn  Sn7  1  0.500  0.167  0.833  1.0
[/CIF]
.