The structure described by Mg14MoCu 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 Mo(1)Mg10Cu2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8Cu2Mo2 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 Cu(1)Mg10Mo2 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 Cu(1)Mg10Mo2 cuboctahedra, corners with six equivalent Mg(2)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8Cu2Mo2 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 Mo(1)Mg10Cu2 cuboctahedra, and faces with four equivalent Mg(4)Mg12 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 Cu(1) atoms to form distorted MgMg8Cu2Mo2 cuboctahedra that share 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)Mg8Cu2Mo2 cuboctahedra, edges with two equivalent Mg(3)Mg8Cu2Mo2 cuboctahedra, edges with two equivalent Mo(1)Mg10Cu2 cuboctahedra, edges with two equivalent Cu(1)Mg10Mo2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8Cu2Mo2 cuboctahedra, faces with two equivalent Mo(1)Mg10Cu2 cuboctahedra, and faces with two equivalent Cu(1)Mg10Mo2 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 four equivalent Mg(3)Mg8Cu2Mo2 cuboctahedra, corners with four equivalent Mo(1)Mg10Cu2 cuboctahedra, corners with four equivalent Cu(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, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, and faces with two equivalent Mg(3)Mg8Cu2Mo2 cuboctahedra. In the fifth Mg site, Mg(5) is bonded in a 2-coordinate geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(4), one Mo(1), and one Cu(1) atom. 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), and one Cu(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), and one Mo(1) atom. Mo(1) is bonded to two equivalent Mg(7), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Cu(1) atoms to form distorted MoMg10Cu2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Mo(1)Mg10Cu2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Cu(1)Mg10Mo2 cuboctahedra, edges with four equivalent Mg(3)Mg8Cu2Mo2 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Cu(1)Mg10Mo2 cuboctahedra, and faces with four equivalent Mg(3)Mg8Cu2Mo2 cuboctahedra. Cu(1) is bonded to two equivalent Mg(6), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Mo(1) atoms to form CuMg10Mo2 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with six equivalent Cu(1)Mg10Mo2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Mo(1)Mg10Cu2 cuboctahedra, edges with four equivalent Mg(3)Mg8Cu2Mo2 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mo(1)Mg10Cu2 cuboctahedra, and faces with four equivalent Mg(3)Mg8Cu2Mo2 cuboctahedra. is represented by the CIF card [CIF]
data_Mg14CuMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.245
_cell_length_b   6.280
_cell_length_c   9.803
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.183
_symmetry_Int_Tables_number   1
_cell_volume   332.364
_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  0.170  0.335  0.625  1.0
  Mg  Mg1  1  0.170  0.835  0.625  1.0
  Mg  Mg2  1  0.668  0.339  0.125  1.0
  Mg  Mg3  1  0.665  0.333  0.625  1.0
  Mg  Mg4  1  0.668  0.830  0.125  1.0
  Mg  Mg5  1  0.665  0.832  0.625  1.0
  Mg  Mg6  1  0.323  0.159  0.357  1.0
  Mg  Mg7  1  0.323  0.159  0.893  1.0
  Mg  Mg8  1  0.323  0.663  0.357  1.0
  Mg  Mg9  1  0.323  0.663  0.893  1.0
  Mg  Mg10  1  0.841  0.171  0.366  1.0
  Mg  Mg11  1  0.841  0.171  0.884  1.0
  Mg  Mg12  1  0.845  0.672  0.369  1.0
  Mg  Mg13  1  0.845  0.672  0.881  1.0
  Cu  Cu14  1  0.167  0.334  0.125  1.0
  Mo  Mo15  1  0.162  0.831  0.125  1.0
[/CIF]
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The structure described by Mg14MoCu 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 Mo(1)Mg10Cu2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8Cu2Mo2 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 Cu(1)Mg10Mo2 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 Cu(1)Mg10Mo2 cuboctahedra, corners with six equivalent Mg(2)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8Cu2Mo2 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 Mo(1)Mg10Cu2 cuboctahedra, and faces with four equivalent Mg(4)Mg12 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 Cu(1) atoms to form distorted MgMg8Cu2Mo2 cuboctahedra that share 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)Mg8Cu2Mo2 cuboctahedra, edges with two equivalent Mg(3)Mg8Cu2Mo2 cuboctahedra, edges with two equivalent Mo(1)Mg10Cu2 cuboctahedra, edges with two equivalent Cu(1)Mg10Mo2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8Cu2Mo2 cuboctahedra, faces with two equivalent Mo(1)Mg10Cu2 cuboctahedra, and faces with two equivalent Cu(1)Mg10Mo2 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 four equivalent Mg(3)Mg8Cu2Mo2 cuboctahedra, corners with four equivalent Mo(1)Mg10Cu2 cuboctahedra, corners with four equivalent Cu(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, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, and faces with two equivalent Mg(3)Mg8Cu2Mo2 cuboctahedra. In the fifth Mg site, Mg(5) is bonded in a 2-coordinate geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(4), one Mo(1), and one Cu(1) atom. 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), and one Cu(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), and one Mo(1) atom. Mo(1) is bonded to two equivalent Mg(7), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Cu(1) atoms to form distorted MoMg10Cu2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Mo(1)Mg10Cu2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Cu(1)Mg10Mo2 cuboctahedra, edges with four equivalent Mg(3)Mg8Cu2Mo2 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Cu(1)Mg10Mo2 cuboctahedra, and faces with four equivalent Mg(3)Mg8Cu2Mo2 cuboctahedra. Cu(1) is bonded to two equivalent Mg(6), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Mo(1) atoms to form CuMg10Mo2 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with six equivalent Cu(1)Mg10Mo2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Mo(1)Mg10Cu2 cuboctahedra, edges with four equivalent Mg(3)Mg8Cu2Mo2 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mo(1)Mg10Cu2 cuboctahedra, and faces with four equivalent Mg(3)Mg8Cu2Mo2 cuboctahedra. is represented by the CIF card [CIF]
data_Mg14CuMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.245
_cell_length_b   6.280
_cell_length_c   9.803
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.183
_symmetry_Int_Tables_number   1
_cell_volume   332.364
_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  0.170  0.335  0.625  1.0
  Mg  Mg1  1  0.170  0.835  0.625  1.0
  Mg  Mg2  1  0.668  0.339  0.125  1.0
  Mg  Mg3  1  0.665  0.333  0.625  1.0
  Mg  Mg4  1  0.668  0.830  0.125  1.0
  Mg  Mg5  1  0.665  0.832  0.625  1.0
  Mg  Mg6  1  0.323  0.159  0.357  1.0
  Mg  Mg7  1  0.323  0.159  0.893  1.0
  Mg  Mg8  1  0.323  0.663  0.357  1.0
  Mg  Mg9  1  0.323  0.663  0.893  1.0
  Mg  Mg10  1  0.841  0.171  0.366  1.0
  Mg  Mg11  1  0.841  0.171  0.884  1.0
  Mg  Mg12  1  0.845  0.672  0.369  1.0
  Mg  Mg13  1  0.845  0.672  0.881  1.0
  Cu  Cu14  1  0.167  0.334  0.125  1.0
  Mo  Mo15  1  0.162  0.831  0.125  1.0
[/CIF]
.