The crystal structure described by Mg6NbGa 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(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Nb(1), and two equivalent Ga(1) atoms to form distorted MgMg8Nb2Ga2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Nb2 cuboctahedra, corners with four equivalent Nb(1)Mg10Ga2 cuboctahedra, corners with ten equivalent Mg(1)Mg8Nb2Ga2 cuboctahedra, edges with two equivalent Mg(2)Mg10Nb2 cuboctahedra, edges with two equivalent Mg(1)Mg8Nb2Ga2 cuboctahedra, edges with two equivalent Nb(1)Mg10Ga2 cuboctahedra, edges with four equivalent Mg(4)Mg10Ga2 cuboctahedra, edges with four equivalent Ga(1)Mg10Nb2 cuboctahedra, faces with two equivalent Mg(4)Mg10Ga2 cuboctahedra, faces with two equivalent Mg(2)Mg10Nb2 cuboctahedra, faces with two equivalent Nb(1)Mg10Ga2 cuboctahedra, faces with two equivalent Ga(1)Mg10Nb2 cuboctahedra, and faces with four equivalent Mg(1)Mg8Nb2Ga2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Nb(1) atoms to form MgMg10Nb2 cuboctahedra that share corners with four equivalent Nb(1)Mg10Ga2 cuboctahedra, corners with six equivalent Mg(2)Mg10Nb2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Nb2Ga2 cuboctahedra, edges with two equivalent Nb(1)Mg10Ga2 cuboctahedra, edges with four equivalent Mg(4)Mg10Ga2 cuboctahedra, edges with four equivalent Mg(1)Mg8Nb2Ga2 cuboctahedra, faces with two equivalent Mg(4)Mg10Ga2 cuboctahedra, faces with two equivalent Mg(2)Mg10Nb2 cuboctahedra, faces with two equivalent Nb(1)Mg10Ga2 cuboctahedra, faces with four equivalent Mg(1)Mg8Nb2Ga2 cuboctahedra, and faces with six equivalent Ga(1)Mg10Nb2 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Nb(1), and two equivalent Ga(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ga(1) atoms to form distorted MgMg10Ga2 cuboctahedra that share corners with four equivalent Ga(1)Mg10Nb2 cuboctahedra, corners with six equivalent Mg(4)Mg10Ga2 cuboctahedra, edges with two equivalent Ga(1)Mg10Nb2 cuboctahedra, edges with four equivalent Mg(2)Mg10Nb2 cuboctahedra, edges with eight equivalent Mg(1)Mg8Nb2Ga2 cuboctahedra, faces with two equivalent Mg(4)Mg10Ga2 cuboctahedra, faces with two equivalent Mg(2)Mg10Nb2 cuboctahedra, faces with two equivalent Ga(1)Mg10Nb2 cuboctahedra, faces with four equivalent Mg(1)Mg8Nb2Ga2 cuboctahedra, and faces with six equivalent Nb(1)Mg10Ga2 cuboctahedra. Nb(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ga(1) atoms to form NbMg10Ga2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Nb2 cuboctahedra, corners with six equivalent Nb(1)Mg10Ga2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Nb2Ga2 cuboctahedra, edges with two equivalent Mg(2)Mg10Nb2 cuboctahedra, edges with four equivalent Mg(1)Mg8Nb2Ga2 cuboctahedra, edges with four equivalent Ga(1)Mg10Nb2 cuboctahedra, faces with two equivalent Mg(2)Mg10Nb2 cuboctahedra, faces with two equivalent Nb(1)Mg10Ga2 cuboctahedra, faces with two equivalent Ga(1)Mg10Nb2 cuboctahedra, faces with four equivalent Mg(1)Mg8Nb2Ga2 cuboctahedra, and faces with six equivalent Mg(4)Mg10Ga2 cuboctahedra. Ga(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Nb(1) atoms to form distorted GaMg10Nb2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Ga2 cuboctahedra, corners with six equivalent Ga(1)Mg10Nb2 cuboctahedra, edges with two equivalent Mg(4)Mg10Ga2 cuboctahedra, edges with four equivalent Nb(1)Mg10Ga2 cuboctahedra, edges with eight equivalent Mg(1)Mg8Nb2Ga2 cuboctahedra, faces with two equivalent Mg(4)Mg10Ga2 cuboctahedra, faces with two equivalent Nb(1)Mg10Ga2 cuboctahedra, faces with two equivalent Ga(1)Mg10Nb2 cuboctahedra, faces with four equivalent Mg(1)Mg8Nb2Ga2 cuboctahedra, and faces with six equivalent Mg(2)Mg10Nb2 cuboctahedra. is represented by the CIF card [CIF]
data_Mg6NbGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.864
_cell_length_b   6.232
_cell_length_c   6.232
_cell_angle_alpha   119.607
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   164.241
_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
  Ga  Ga0  1  0.500  0.316  0.684  1.0
  Mg  Mg1  1  1.000  0.665  0.829  1.0
  Mg  Mg2  1  0.000  0.171  0.335  1.0
  Mg  Mg3  1  0.000  0.667  0.333  1.0
  Mg  Mg4  1  0.500  0.843  0.670  1.0
  Mg  Mg5  1  0.500  0.330  0.157  1.0
  Mg  Mg6  1  0.500  0.833  0.167  1.0
  Nb  Nb7  1  0.000  0.174  0.826  1.0
[/CIF]
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The crystal structure described by Mg6NbGa 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(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Nb(1), and two equivalent Ga(1) atoms to form distorted MgMg8Nb2Ga2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Nb2 cuboctahedra, corners with four equivalent Nb(1)Mg10Ga2 cuboctahedra, corners with ten equivalent Mg(1)Mg8Nb2Ga2 cuboctahedra, edges with two equivalent Mg(2)Mg10Nb2 cuboctahedra, edges with two equivalent Mg(1)Mg8Nb2Ga2 cuboctahedra, edges with two equivalent Nb(1)Mg10Ga2 cuboctahedra, edges with four equivalent Mg(4)Mg10Ga2 cuboctahedra, edges with four equivalent Ga(1)Mg10Nb2 cuboctahedra, faces with two equivalent Mg(4)Mg10Ga2 cuboctahedra, faces with two equivalent Mg(2)Mg10Nb2 cuboctahedra, faces with two equivalent Nb(1)Mg10Ga2 cuboctahedra, faces with two equivalent Ga(1)Mg10Nb2 cuboctahedra, and faces with four equivalent Mg(1)Mg8Nb2Ga2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Nb(1) atoms to form MgMg10Nb2 cuboctahedra that share corners with four equivalent Nb(1)Mg10Ga2 cuboctahedra, corners with six equivalent Mg(2)Mg10Nb2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Nb2Ga2 cuboctahedra, edges with two equivalent Nb(1)Mg10Ga2 cuboctahedra, edges with four equivalent Mg(4)Mg10Ga2 cuboctahedra, edges with four equivalent Mg(1)Mg8Nb2Ga2 cuboctahedra, faces with two equivalent Mg(4)Mg10Ga2 cuboctahedra, faces with two equivalent Mg(2)Mg10Nb2 cuboctahedra, faces with two equivalent Nb(1)Mg10Ga2 cuboctahedra, faces with four equivalent Mg(1)Mg8Nb2Ga2 cuboctahedra, and faces with six equivalent Ga(1)Mg10Nb2 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Nb(1), and two equivalent Ga(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ga(1) atoms to form distorted MgMg10Ga2 cuboctahedra that share corners with four equivalent Ga(1)Mg10Nb2 cuboctahedra, corners with six equivalent Mg(4)Mg10Ga2 cuboctahedra, edges with two equivalent Ga(1)Mg10Nb2 cuboctahedra, edges with four equivalent Mg(2)Mg10Nb2 cuboctahedra, edges with eight equivalent Mg(1)Mg8Nb2Ga2 cuboctahedra, faces with two equivalent Mg(4)Mg10Ga2 cuboctahedra, faces with two equivalent Mg(2)Mg10Nb2 cuboctahedra, faces with two equivalent Ga(1)Mg10Nb2 cuboctahedra, faces with four equivalent Mg(1)Mg8Nb2Ga2 cuboctahedra, and faces with six equivalent Nb(1)Mg10Ga2 cuboctahedra. Nb(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ga(1) atoms to form NbMg10Ga2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Nb2 cuboctahedra, corners with six equivalent Nb(1)Mg10Ga2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Nb2Ga2 cuboctahedra, edges with two equivalent Mg(2)Mg10Nb2 cuboctahedra, edges with four equivalent Mg(1)Mg8Nb2Ga2 cuboctahedra, edges with four equivalent Ga(1)Mg10Nb2 cuboctahedra, faces with two equivalent Mg(2)Mg10Nb2 cuboctahedra, faces with two equivalent Nb(1)Mg10Ga2 cuboctahedra, faces with two equivalent Ga(1)Mg10Nb2 cuboctahedra, faces with four equivalent Mg(1)Mg8Nb2Ga2 cuboctahedra, and faces with six equivalent Mg(4)Mg10Ga2 cuboctahedra. Ga(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Nb(1) atoms to form distorted GaMg10Nb2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Ga2 cuboctahedra, corners with six equivalent Ga(1)Mg10Nb2 cuboctahedra, edges with two equivalent Mg(4)Mg10Ga2 cuboctahedra, edges with four equivalent Nb(1)Mg10Ga2 cuboctahedra, edges with eight equivalent Mg(1)Mg8Nb2Ga2 cuboctahedra, faces with two equivalent Mg(4)Mg10Ga2 cuboctahedra, faces with two equivalent Nb(1)Mg10Ga2 cuboctahedra, faces with two equivalent Ga(1)Mg10Nb2 cuboctahedra, faces with four equivalent Mg(1)Mg8Nb2Ga2 cuboctahedra, and faces with six equivalent Mg(2)Mg10Nb2 cuboctahedra. is represented by the CIF card [CIF]
data_Mg6NbGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.864
_cell_length_b   6.232
_cell_length_c   6.232
_cell_angle_alpha   119.607
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   164.241
_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
  Ga  Ga0  1  0.500  0.316  0.684  1.0
  Mg  Mg1  1  1.000  0.665  0.829  1.0
  Mg  Mg2  1  0.000  0.171  0.335  1.0
  Mg  Mg3  1  0.000  0.667  0.333  1.0
  Mg  Mg4  1  0.500  0.843  0.670  1.0
  Mg  Mg5  1  0.500  0.330  0.157  1.0
  Mg  Mg6  1  0.500  0.833  0.167  1.0
  Nb  Nb7  1  0.000  0.174  0.826  1.0
[/CIF]
.