The structure described by Mg14MoBi 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)Mg10Mo2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with eight equivalent Mg(5)Mg6BiMo cuboctahedra, corners with eight equivalent Mg(3)Mg8Bi2Mo2 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(5)Mg6BiMo cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Mo(1)Mg10Bi2 cuboctahedra, faces with four equivalent Mg(4)Mg12 cuboctahedra, and faces with six equivalent Mg(7)Mg11Bi 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)Mg6BiMo cuboctahedra, corners with four equivalent Mo(1)Mg10Bi2 cuboctahedra, corners with six equivalent Mg(2)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8Bi2Mo2 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Mg(7)Mg11Bi cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(5)Mg6BiMo cuboctahedra, faces with two equivalent Mg(7)Mg11Bi cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Bi(1)Mg10Mo2 cuboctahedra, faces with four equivalent Mg(4)Mg12 cuboctahedra, and faces with four equivalent Mg(5)Mg6BiMo 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 Bi(1) atoms to form distorted MgMg8Bi2Mo2 cuboctahedra that share corners with two equivalent Mg(5)Mg6BiMo 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)Mg8Bi2Mo2 cuboctahedra, edges with two equivalent Mg(3)Mg8Bi2Mo2 cuboctahedra, edges with two equivalent Mo(1)Mg10Bi2 cuboctahedra, edges with two equivalent Bi(1)Mg10Mo2 cuboctahedra, edges with four equivalent Mg(7)Mg11Bi cuboctahedra, edges with four equivalent Mg(5)Mg6BiMo cuboctahedra, faces with two equivalent Mg(7)Mg11Bi cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8Bi2Mo2 cuboctahedra, faces with two equivalent Mo(1)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)Mg10Mo2 cuboctahedra, and faces with six equivalent Mg(5)Mg6BiMo 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)Mg6BiMo cuboctahedra, corners with four equivalent Mg(3)Mg8Bi2Mo2 cuboctahedra, corners with four equivalent Mo(1)Mg10Bi2 cuboctahedra, corners with four equivalent Bi(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(7)Mg11Bi cuboctahedra, edges with four equivalent Mg(5)Mg6BiMo cuboctahedra, faces with two equivalent Mg(7)Mg11Bi 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)Mg8Bi2Mo2 cuboctahedra, and faces with six equivalent Mg(5)Mg6BiMo 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 Bi(1) atom to form distorted MgMg6BiMo 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)Mg8Bi2Mo2 cuboctahedra,  a cornercorner with one Bi(1)Mg10Mo2 cuboctahedra, corners with two equivalent Mg(1)Mg12 cuboctahedra, corners with two equivalent Mo(1)Mg10Bi2 cuboctahedra, corners with four equivalent Mg(7)Mg11Bi cuboctahedra, corners with eight equivalent Mg(5)Mg6BiMo cuboctahedra,  an edgeedge with one Mg(1)Mg12 cuboctahedra,  an edgeedge with one Mg(2)Mg12 cuboctahedra,  an edgeedge with one Mo(1)Mg10Bi2 cuboctahedra,  an edgeedge with one Bi(1)Mg10Mo2 cuboctahedra, edges with two equivalent Mg(7)Mg11Bi cuboctahedra, edges with two equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Mg(3)Mg8Bi2Mo2 cuboctahedra,  a faceface with one Mg(2)Mg12 cuboctahedra,  a faceface with one Bi(1)Mg10Mo2 cuboctahedra, faces with three equivalent Mg(4)Mg12 cuboctahedra, faces with three equivalent Mg(3)Mg8Bi2Mo2 cuboctahedra, and faces with four equivalent Mg(5)Mg6BiMo 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 to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), four equivalent Mg(5), and one Bi(1) atom to form distorted MgMg11Bi cuboctahedra that share corners with six equivalent Mg(7)Mg11Bi cuboctahedra, corners with eight equivalent Mg(5)Mg6BiMo cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Bi(1)Mg10Mo2 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(5)Mg6BiMo cuboctahedra, edges with four equivalent Mg(3)Mg8Bi2Mo2 cuboctahedra,  a faceface with one Mg(2)Mg12 cuboctahedra,  a faceface with one Bi(1)Mg10Mo2 cuboctahedra, faces with two equivalent Mg(7)Mg11Bi cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8Bi2Mo2 cuboctahedra, faces with three equivalent Mg(1)Mg12 cuboctahedra, and faces with three equivalent Mo(1)Mg10Bi2 cuboctahedra. Mo(1) is bonded to two equivalent Mg(6), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Bi(1) atoms to form MoMg10Bi2 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with six equivalent Mo(1)Mg10Bi2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, corners with eight equivalent Mg(5)Mg6BiMo cuboctahedra, edges with two equivalent Bi(1)Mg10Mo2 cuboctahedra, edges with four equivalent Mg(5)Mg6BiMo cuboctahedra, edges with four equivalent Mg(3)Mg8Bi2Mo2 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Bi(1)Mg10Mo2 cuboctahedra, faces with four equivalent Mg(3)Mg8Bi2Mo2 cuboctahedra, and faces with six equivalent Mg(7)Mg11Bi cuboctahedra. Bi(1) is bonded to two equivalent Mg(7), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Mo(1) atoms to form BiMg10Mo2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with four equivalent Mg(5)Mg6BiMo cuboctahedra, corners with six equivalent Bi(1)Mg10Mo2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Mo(1)Mg10Bi2 cuboctahedra, edges with four equivalent Mg(7)Mg11Bi cuboctahedra, edges with four equivalent Mg(5)Mg6BiMo cuboctahedra, edges with four equivalent Mg(3)Mg8Bi2Mo2 cuboctahedra, faces with two equivalent Mg(7)Mg11Bi cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Mo(1)Mg10Bi2 cuboctahedra, faces with four equivalent Mg(5)Mg6BiMo cuboctahedra, and faces with four equivalent Mg(3)Mg8Bi2Mo2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg14BiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.339
_cell_length_b   6.345
_cell_length_c   10.254
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.031
_symmetry_Int_Tables_number   1
_cell_volume   357.121
_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  0.168  0.834  0.625  1.0
  Mg  Mg2  1  0.668  0.333  0.125  1.0
  Mg  Mg3  1  0.667  0.332  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  0.332  0.174  0.373  1.0
  Mg  Mg7  1  0.332  0.174  0.877  1.0
  Mg  Mg8  1  0.332  0.658  0.373  1.0
  Mg  Mg9  1  0.332  0.658  0.877  1.0
  Mg  Mg10  1  0.841  0.171  0.370  1.0
  Mg  Mg11  1  0.841  0.171  0.880  1.0
  Mg  Mg12  1  0.830  0.665  0.380  1.0
  Mg  Mg13  1  0.830  0.665  0.870  1.0
  Bi  Bi14  1  0.161  0.830  0.125  1.0
  Mo  Mo15  1  0.168  0.334  0.125  1.0
[/CIF]
.
The structure described by Mg14MoBi 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)Mg10Mo2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with eight equivalent Mg(5)Mg6BiMo cuboctahedra, corners with eight equivalent Mg(3)Mg8Bi2Mo2 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(5)Mg6BiMo cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Mo(1)Mg10Bi2 cuboctahedra, faces with four equivalent Mg(4)Mg12 cuboctahedra, and faces with six equivalent Mg(7)Mg11Bi 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)Mg6BiMo cuboctahedra, corners with four equivalent Mo(1)Mg10Bi2 cuboctahedra, corners with six equivalent Mg(2)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8Bi2Mo2 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Mg(7)Mg11Bi cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(5)Mg6BiMo cuboctahedra, faces with two equivalent Mg(7)Mg11Bi cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Bi(1)Mg10Mo2 cuboctahedra, faces with four equivalent Mg(4)Mg12 cuboctahedra, and faces with four equivalent Mg(5)Mg6BiMo 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 Bi(1) atoms to form distorted MgMg8Bi2Mo2 cuboctahedra that share corners with two equivalent Mg(5)Mg6BiMo 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)Mg8Bi2Mo2 cuboctahedra, edges with two equivalent Mg(3)Mg8Bi2Mo2 cuboctahedra, edges with two equivalent Mo(1)Mg10Bi2 cuboctahedra, edges with two equivalent Bi(1)Mg10Mo2 cuboctahedra, edges with four equivalent Mg(7)Mg11Bi cuboctahedra, edges with four equivalent Mg(5)Mg6BiMo cuboctahedra, faces with two equivalent Mg(7)Mg11Bi cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8Bi2Mo2 cuboctahedra, faces with two equivalent Mo(1)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)Mg10Mo2 cuboctahedra, and faces with six equivalent Mg(5)Mg6BiMo 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)Mg6BiMo cuboctahedra, corners with four equivalent Mg(3)Mg8Bi2Mo2 cuboctahedra, corners with four equivalent Mo(1)Mg10Bi2 cuboctahedra, corners with four equivalent Bi(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(7)Mg11Bi cuboctahedra, edges with four equivalent Mg(5)Mg6BiMo cuboctahedra, faces with two equivalent Mg(7)Mg11Bi 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)Mg8Bi2Mo2 cuboctahedra, and faces with six equivalent Mg(5)Mg6BiMo 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 Bi(1) atom to form distorted MgMg6BiMo 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)Mg8Bi2Mo2 cuboctahedra,  a cornercorner with one Bi(1)Mg10Mo2 cuboctahedra, corners with two equivalent Mg(1)Mg12 cuboctahedra, corners with two equivalent Mo(1)Mg10Bi2 cuboctahedra, corners with four equivalent Mg(7)Mg11Bi cuboctahedra, corners with eight equivalent Mg(5)Mg6BiMo cuboctahedra,  an edgeedge with one Mg(1)Mg12 cuboctahedra,  an edgeedge with one Mg(2)Mg12 cuboctahedra,  an edgeedge with one Mo(1)Mg10Bi2 cuboctahedra,  an edgeedge with one Bi(1)Mg10Mo2 cuboctahedra, edges with two equivalent Mg(7)Mg11Bi cuboctahedra, edges with two equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Mg(3)Mg8Bi2Mo2 cuboctahedra,  a faceface with one Mg(2)Mg12 cuboctahedra,  a faceface with one Bi(1)Mg10Mo2 cuboctahedra, faces with three equivalent Mg(4)Mg12 cuboctahedra, faces with three equivalent Mg(3)Mg8Bi2Mo2 cuboctahedra, and faces with four equivalent Mg(5)Mg6BiMo 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 to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), four equivalent Mg(5), and one Bi(1) atom to form distorted MgMg11Bi cuboctahedra that share corners with six equivalent Mg(7)Mg11Bi cuboctahedra, corners with eight equivalent Mg(5)Mg6BiMo cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Bi(1)Mg10Mo2 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(5)Mg6BiMo cuboctahedra, edges with four equivalent Mg(3)Mg8Bi2Mo2 cuboctahedra,  a faceface with one Mg(2)Mg12 cuboctahedra,  a faceface with one Bi(1)Mg10Mo2 cuboctahedra, faces with two equivalent Mg(7)Mg11Bi cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8Bi2Mo2 cuboctahedra, faces with three equivalent Mg(1)Mg12 cuboctahedra, and faces with three equivalent Mo(1)Mg10Bi2 cuboctahedra. Mo(1) is bonded to two equivalent Mg(6), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Bi(1) atoms to form MoMg10Bi2 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with six equivalent Mo(1)Mg10Bi2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, corners with eight equivalent Mg(5)Mg6BiMo cuboctahedra, edges with two equivalent Bi(1)Mg10Mo2 cuboctahedra, edges with four equivalent Mg(5)Mg6BiMo cuboctahedra, edges with four equivalent Mg(3)Mg8Bi2Mo2 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Bi(1)Mg10Mo2 cuboctahedra, faces with four equivalent Mg(3)Mg8Bi2Mo2 cuboctahedra, and faces with six equivalent Mg(7)Mg11Bi cuboctahedra. Bi(1) is bonded to two equivalent Mg(7), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Mo(1) atoms to form BiMg10Mo2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with four equivalent Mg(5)Mg6BiMo cuboctahedra, corners with six equivalent Bi(1)Mg10Mo2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Mo(1)Mg10Bi2 cuboctahedra, edges with four equivalent Mg(7)Mg11Bi cuboctahedra, edges with four equivalent Mg(5)Mg6BiMo cuboctahedra, edges with four equivalent Mg(3)Mg8Bi2Mo2 cuboctahedra, faces with two equivalent Mg(7)Mg11Bi cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Mo(1)Mg10Bi2 cuboctahedra, faces with four equivalent Mg(5)Mg6BiMo cuboctahedra, and faces with four equivalent Mg(3)Mg8Bi2Mo2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg14BiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.339
_cell_length_b   6.345
_cell_length_c   10.254
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.031
_symmetry_Int_Tables_number   1
_cell_volume   357.121
_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  0.168  0.834  0.625  1.0
  Mg  Mg2  1  0.668  0.333  0.125  1.0
  Mg  Mg3  1  0.667  0.332  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  0.332  0.174  0.373  1.0
  Mg  Mg7  1  0.332  0.174  0.877  1.0
  Mg  Mg8  1  0.332  0.658  0.373  1.0
  Mg  Mg9  1  0.332  0.658  0.877  1.0
  Mg  Mg10  1  0.841  0.171  0.370  1.0
  Mg  Mg11  1  0.841  0.171  0.880  1.0
  Mg  Mg12  1  0.830  0.665  0.380  1.0
  Mg  Mg13  1  0.830  0.665  0.870  1.0
  Bi  Bi14  1  0.161  0.830  0.125  1.0
  Mo  Mo15  1  0.168  0.334  0.125  1.0
[/CIF]
.