The material described by Mg14SnBi crystallizes in the orthorhombic Amm2 space group. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), two equivalent Mg(6), four equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Bi(1)Mg10Sn2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Sn(1)Mg10Bi2 cuboctahedra, and faces with four equivalent Mg(4)Mg12 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(7), four equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Sn(1)Mg10Bi2 cuboctahedra, corners with six equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Bi(1)Mg10Sn2 cuboctahedra, and faces with four equivalent Mg(4)Mg12 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to two equivalent Sn(1) and two equivalent Bi(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), two equivalent Mg(6), and two equivalent Mg(7) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Sn(1)Mg10Bi2 cuboctahedra, corners with four equivalent Bi(1)Mg10Sn2 cuboctahedra, corners with six equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, and faces with two equivalent Mg(4)Mg12 cuboctahedra. In the fifth Mg site, Mg(5) is bonded in a 2-coordinate geometry to one Mg(1), one Mg(2), one Mg(4), one Sn(1), and one Bi(1) atom. In the sixth Mg site, Mg(6) is bonded in a distorted single-bond geometry to one Mg(1), two equivalent Mg(4), and one Sn(1) atom. In the seventh Mg site, Mg(7) is bonded in a distorted single-bond geometry to one Mg(2), two equivalent Mg(4), and one Bi(1) atom. Sn(1) is bonded to two equivalent Mg(6), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Bi(1) atoms to form distorted SnMg10Bi2 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with six equivalent Sn(1)Mg10Bi2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Bi(1)Mg10Sn2 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, and faces with two equivalent Bi(1)Mg10Sn2 cuboctahedra. Bi(1) is bonded to two equivalent Mg(7), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Sn(1) atoms to form distorted BiMg10Sn2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Bi(1)Mg10Sn2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Sn(1)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, and faces with two equivalent Sn(1)Mg10Bi2 cuboctahedra. is represented by the CIF card [CIF]
data_Mg14SnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.415
_cell_length_b   6.712
_cell_length_c   10.356
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.540
_symmetry_Int_Tables_number   1
_cell_volume   380.025
_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  0.169  0.334  0.625  1.0
  Mg  Mg1  1  0.169  0.834  0.625  1.0
  Mg  Mg2  1  0.668  0.334  0.125  1.0
  Mg  Mg3  1  0.667  0.334  0.625  1.0
  Mg  Mg4  1  0.668  0.834  0.125  1.0
  Mg  Mg5  1  0.667  0.834  0.625  1.0
  Mg  Mg6  1  0.334  0.169  0.378  1.0
  Mg  Mg7  1  0.334  0.169  0.872  1.0
  Mg  Mg8  1  0.334  0.665  0.378  1.0
  Mg  Mg9  1  0.334  0.665  0.872  1.0
  Mg  Mg10  1  0.833  0.167  0.375  1.0
  Mg  Mg11  1  0.833  0.167  0.875  1.0
  Mg  Mg12  1  0.830  0.665  0.378  1.0
  Mg  Mg13  1  0.830  0.665  0.872  1.0
  Sn  Sn14  1  0.165  0.333  0.125  1.0
  Bi  Bi15  1  0.164  0.832  0.125  1.0
[/CIF]
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The material described by Mg14SnBi crystallizes in the orthorhombic Amm2 space group. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), two equivalent Mg(6), four equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Bi(1)Mg10Sn2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Sn(1)Mg10Bi2 cuboctahedra, and faces with four equivalent Mg(4)Mg12 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(7), four equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Sn(1)Mg10Bi2 cuboctahedra, corners with six equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Bi(1)Mg10Sn2 cuboctahedra, and faces with four equivalent Mg(4)Mg12 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to two equivalent Sn(1) and two equivalent Bi(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), two equivalent Mg(6), and two equivalent Mg(7) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Sn(1)Mg10Bi2 cuboctahedra, corners with four equivalent Bi(1)Mg10Sn2 cuboctahedra, corners with six equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, and faces with two equivalent Mg(4)Mg12 cuboctahedra. In the fifth Mg site, Mg(5) is bonded in a 2-coordinate geometry to one Mg(1), one Mg(2), one Mg(4), one Sn(1), and one Bi(1) atom. In the sixth Mg site, Mg(6) is bonded in a distorted single-bond geometry to one Mg(1), two equivalent Mg(4), and one Sn(1) atom. In the seventh Mg site, Mg(7) is bonded in a distorted single-bond geometry to one Mg(2), two equivalent Mg(4), and one Bi(1) atom. Sn(1) is bonded to two equivalent Mg(6), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Bi(1) atoms to form distorted SnMg10Bi2 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with six equivalent Sn(1)Mg10Bi2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Bi(1)Mg10Sn2 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, and faces with two equivalent Bi(1)Mg10Sn2 cuboctahedra. Bi(1) is bonded to two equivalent Mg(7), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Sn(1) atoms to form distorted BiMg10Sn2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Bi(1)Mg10Sn2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Sn(1)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, and faces with two equivalent Sn(1)Mg10Bi2 cuboctahedra. is represented by the CIF card [CIF]
data_Mg14SnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.415
_cell_length_b   6.712
_cell_length_c   10.356
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.540
_symmetry_Int_Tables_number   1
_cell_volume   380.025
_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  0.169  0.334  0.625  1.0
  Mg  Mg1  1  0.169  0.834  0.625  1.0
  Mg  Mg2  1  0.668  0.334  0.125  1.0
  Mg  Mg3  1  0.667  0.334  0.625  1.0
  Mg  Mg4  1  0.668  0.834  0.125  1.0
  Mg  Mg5  1  0.667  0.834  0.625  1.0
  Mg  Mg6  1  0.334  0.169  0.378  1.0
  Mg  Mg7  1  0.334  0.169  0.872  1.0
  Mg  Mg8  1  0.334  0.665  0.378  1.0
  Mg  Mg9  1  0.334  0.665  0.872  1.0
  Mg  Mg10  1  0.833  0.167  0.375  1.0
  Mg  Mg11  1  0.833  0.167  0.875  1.0
  Mg  Mg12  1  0.830  0.665  0.378  1.0
  Mg  Mg13  1  0.830  0.665  0.872  1.0
  Sn  Sn14  1  0.165  0.333  0.125  1.0
  Bi  Bi15  1  0.164  0.832  0.125  1.0
[/CIF]
.