The compound described by Mg14MoSb 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 Sb(1)Mg10Mo2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with eight equivalent Mg(5)Mg6SbMo cuboctahedra, corners with eight equivalent Mg(3)Mg8Sb2Mo2 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(5)Mg6SbMo cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Mo(1)Mg10Sb2 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 Mg(5)Mg6SbMo cuboctahedra, corners with four equivalent Mo(1)Mg10Sb2 cuboctahedra, corners with six equivalent Mg(2)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8Sb2Mo2 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(5)Mg6SbMo cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Sb(1)Mg10Mo2 cuboctahedra, faces with four equivalent Mg(4)Mg12 cuboctahedra, and faces with four equivalent Mg(5)Mg6SbMo cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(3), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), two equivalent Mo(1), and two equivalent Sb(1) atoms to form distorted MgMg8Sb2Mo2 cuboctahedra that share corners with two equivalent Mg(5)Mg6SbMo cuboctahedra, corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with four equivalent Mg(4)Mg12 cuboctahedra, corners with six equivalent Mg(3)Mg8Sb2Mo2 cuboctahedra, edges with two equivalent Mg(3)Mg8Sb2Mo2 cuboctahedra, edges with two equivalent Mo(1)Mg10Sb2 cuboctahedra, edges with two equivalent Sb(1)Mg10Mo2 cuboctahedra, edges with four equivalent Mg(5)Mg6SbMo cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8Sb2Mo2 cuboctahedra, faces with two equivalent Mo(1)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Mg10Mo2 cuboctahedra, and faces with six equivalent Mg(5)Mg6SbMo cuboctahedra. 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 two equivalent Mg(5)Mg6SbMo cuboctahedra, corners with four equivalent Mg(3)Mg8Sb2Mo2 cuboctahedra, corners with four equivalent Mo(1)Mg10Sb2 cuboctahedra, corners with four equivalent Sb(1)Mg10Mo2 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, edges with four equivalent Mg(5)Mg6SbMo cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8Sb2Mo2 cuboctahedra, and faces with six equivalent Mg(5)Mg6SbMo cuboctahedra. In the fifth Mg site, Mg(5) is bonded to one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(7), one Mo(1), and one Sb(1) atom to form distorted MgMg6SbMo cuboctahedra that share  a cornercorner with one Mg(2)Mg12 cuboctahedra,  a cornercorner with one Mg(4)Mg12 cuboctahedra,  a cornercorner with one Mg(3)Mg8Sb2Mo2 cuboctahedra,  a cornercorner with one Sb(1)Mg10Mo2 cuboctahedra, corners with two equivalent Mg(1)Mg12 cuboctahedra, corners with two equivalent Mo(1)Mg10Sb2 cuboctahedra, corners with eight equivalent Mg(5)Mg6SbMo cuboctahedra,  an edgeedge with one Mg(1)Mg12 cuboctahedra,  an edgeedge with one Mg(2)Mg12 cuboctahedra,  an edgeedge with one Mo(1)Mg10Sb2 cuboctahedra,  an edgeedge with one Sb(1)Mg10Mo2 cuboctahedra, edges with two equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Mg(3)Mg8Sb2Mo2 cuboctahedra,  a faceface with one Mg(2)Mg12 cuboctahedra,  a faceface with one Sb(1)Mg10Mo2 cuboctahedra, faces with three equivalent Mg(4)Mg12 cuboctahedra, faces with three equivalent Mg(3)Mg8Sb2Mo2 cuboctahedra, and faces with four equivalent Mg(5)Mg6SbMo cuboctahedra. In the sixth Mg site, Mg(6) is bonded in a distorted single-bond geometry to one Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(7), and one Mo(1) atom. In the seventh Mg site, Mg(7) is bonded in a distorted single-bond geometry to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), four equivalent Mg(5), and one Sb(1) atom. Mo(1) is bonded to two equivalent Mg(6), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Sb(1) atoms to form MoMg10Sb2 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with six equivalent Mo(1)Mg10Sb2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, corners with eight equivalent Mg(5)Mg6SbMo cuboctahedra, edges with two equivalent Sb(1)Mg10Mo2 cuboctahedra, edges with four equivalent Mg(5)Mg6SbMo cuboctahedra, edges with four equivalent Mg(3)Mg8Sb2Mo2 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Sb(1)Mg10Mo2 cuboctahedra, and faces with four equivalent Mg(3)Mg8Sb2Mo2 cuboctahedra. Sb(1) is bonded to two equivalent Mg(7), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Mo(1) atoms to form SbMg10Mo2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with four equivalent Mg(5)Mg6SbMo cuboctahedra, corners with six equivalent Sb(1)Mg10Mo2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Mo(1)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(5)Mg6SbMo cuboctahedra, edges with four equivalent Mg(3)Mg8Sb2Mo2 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Mo(1)Mg10Sb2 cuboctahedra, faces with four equivalent Mg(5)Mg6SbMo cuboctahedra, and faces with four equivalent Mg(3)Mg8Sb2Mo2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg14SbMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.300
_cell_length_b   6.268
_cell_length_c   10.220
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.830
_symmetry_Int_Tables_number   1
_cell_volume   350.128
_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  0.166  0.333  0.625  1.0
  Mg  Mg1  1  0.167  0.834  0.625  1.0
  Mg  Mg2  1  0.668  0.333  0.125  1.0
  Mg  Mg3  1  0.666  0.332  0.625  1.0
  Mg  Mg4  1  0.668  0.835  0.125  1.0
  Mg  Mg5  1  0.666  0.834  0.625  1.0
  Mg  Mg6  1  0.331  0.172  0.370  1.0
  Mg  Mg7  1  0.331  0.172  0.880  1.0
  Mg  Mg8  1  0.331  0.658  0.370  1.0
  Mg  Mg9  1  0.331  0.658  0.880  1.0
  Mg  Mg10  1  0.843  0.171  0.369  1.0
  Mg  Mg11  1  0.843  0.171  0.881  1.0
  Mg  Mg12  1  0.832  0.666  0.378  1.0
  Mg  Mg13  1  0.832  0.666  0.872  1.0
  Sb  Sb14  1  0.158  0.829  0.125  1.0
  Mo  Mo15  1  0.168  0.334  0.125  1.0
[/CIF]
.
The compound described by Mg14MoSb 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 Sb(1)Mg10Mo2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with eight equivalent Mg(5)Mg6SbMo cuboctahedra, corners with eight equivalent Mg(3)Mg8Sb2Mo2 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(5)Mg6SbMo cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Mo(1)Mg10Sb2 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 Mg(5)Mg6SbMo cuboctahedra, corners with four equivalent Mo(1)Mg10Sb2 cuboctahedra, corners with six equivalent Mg(2)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8Sb2Mo2 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(5)Mg6SbMo cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Sb(1)Mg10Mo2 cuboctahedra, faces with four equivalent Mg(4)Mg12 cuboctahedra, and faces with four equivalent Mg(5)Mg6SbMo cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(3), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), two equivalent Mo(1), and two equivalent Sb(1) atoms to form distorted MgMg8Sb2Mo2 cuboctahedra that share corners with two equivalent Mg(5)Mg6SbMo cuboctahedra, corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with four equivalent Mg(4)Mg12 cuboctahedra, corners with six equivalent Mg(3)Mg8Sb2Mo2 cuboctahedra, edges with two equivalent Mg(3)Mg8Sb2Mo2 cuboctahedra, edges with two equivalent Mo(1)Mg10Sb2 cuboctahedra, edges with two equivalent Sb(1)Mg10Mo2 cuboctahedra, edges with four equivalent Mg(5)Mg6SbMo cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8Sb2Mo2 cuboctahedra, faces with two equivalent Mo(1)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Mg10Mo2 cuboctahedra, and faces with six equivalent Mg(5)Mg6SbMo cuboctahedra. 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 two equivalent Mg(5)Mg6SbMo cuboctahedra, corners with four equivalent Mg(3)Mg8Sb2Mo2 cuboctahedra, corners with four equivalent Mo(1)Mg10Sb2 cuboctahedra, corners with four equivalent Sb(1)Mg10Mo2 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, edges with four equivalent Mg(5)Mg6SbMo cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8Sb2Mo2 cuboctahedra, and faces with six equivalent Mg(5)Mg6SbMo cuboctahedra. In the fifth Mg site, Mg(5) is bonded to one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(7), one Mo(1), and one Sb(1) atom to form distorted MgMg6SbMo cuboctahedra that share  a cornercorner with one Mg(2)Mg12 cuboctahedra,  a cornercorner with one Mg(4)Mg12 cuboctahedra,  a cornercorner with one Mg(3)Mg8Sb2Mo2 cuboctahedra,  a cornercorner with one Sb(1)Mg10Mo2 cuboctahedra, corners with two equivalent Mg(1)Mg12 cuboctahedra, corners with two equivalent Mo(1)Mg10Sb2 cuboctahedra, corners with eight equivalent Mg(5)Mg6SbMo cuboctahedra,  an edgeedge with one Mg(1)Mg12 cuboctahedra,  an edgeedge with one Mg(2)Mg12 cuboctahedra,  an edgeedge with one Mo(1)Mg10Sb2 cuboctahedra,  an edgeedge with one Sb(1)Mg10Mo2 cuboctahedra, edges with two equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Mg(3)Mg8Sb2Mo2 cuboctahedra,  a faceface with one Mg(2)Mg12 cuboctahedra,  a faceface with one Sb(1)Mg10Mo2 cuboctahedra, faces with three equivalent Mg(4)Mg12 cuboctahedra, faces with three equivalent Mg(3)Mg8Sb2Mo2 cuboctahedra, and faces with four equivalent Mg(5)Mg6SbMo cuboctahedra. In the sixth Mg site, Mg(6) is bonded in a distorted single-bond geometry to one Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(7), and one Mo(1) atom. In the seventh Mg site, Mg(7) is bonded in a distorted single-bond geometry to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), four equivalent Mg(5), and one Sb(1) atom. Mo(1) is bonded to two equivalent Mg(6), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Sb(1) atoms to form MoMg10Sb2 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with six equivalent Mo(1)Mg10Sb2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, corners with eight equivalent Mg(5)Mg6SbMo cuboctahedra, edges with two equivalent Sb(1)Mg10Mo2 cuboctahedra, edges with four equivalent Mg(5)Mg6SbMo cuboctahedra, edges with four equivalent Mg(3)Mg8Sb2Mo2 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Sb(1)Mg10Mo2 cuboctahedra, and faces with four equivalent Mg(3)Mg8Sb2Mo2 cuboctahedra. Sb(1) is bonded to two equivalent Mg(7), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Mo(1) atoms to form SbMg10Mo2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with four equivalent Mg(5)Mg6SbMo cuboctahedra, corners with six equivalent Sb(1)Mg10Mo2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Mo(1)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(5)Mg6SbMo cuboctahedra, edges with four equivalent Mg(3)Mg8Sb2Mo2 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Mo(1)Mg10Sb2 cuboctahedra, faces with four equivalent Mg(5)Mg6SbMo cuboctahedra, and faces with four equivalent Mg(3)Mg8Sb2Mo2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg14SbMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.300
_cell_length_b   6.268
_cell_length_c   10.220
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.830
_symmetry_Int_Tables_number   1
_cell_volume   350.128
_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  0.166  0.333  0.625  1.0
  Mg  Mg1  1  0.167  0.834  0.625  1.0
  Mg  Mg2  1  0.668  0.333  0.125  1.0
  Mg  Mg3  1  0.666  0.332  0.625  1.0
  Mg  Mg4  1  0.668  0.835  0.125  1.0
  Mg  Mg5  1  0.666  0.834  0.625  1.0
  Mg  Mg6  1  0.331  0.172  0.370  1.0
  Mg  Mg7  1  0.331  0.172  0.880  1.0
  Mg  Mg8  1  0.331  0.658  0.370  1.0
  Mg  Mg9  1  0.331  0.658  0.880  1.0
  Mg  Mg10  1  0.843  0.171  0.369  1.0
  Mg  Mg11  1  0.843  0.171  0.881  1.0
  Mg  Mg12  1  0.832  0.666  0.378  1.0
  Mg  Mg13  1  0.832  0.666  0.872  1.0
  Sb  Sb14  1  0.158  0.829  0.125  1.0
  Mo  Mo15  1  0.168  0.334  0.125  1.0
[/CIF]
.