The material structure described by MgGa3 crystallizes in the orthorhombic Pmm2 space group. Mg(1) is bonded to two equivalent Ga(1), four equivalent Ga(2), and four equivalent Ga(3) atoms to form distorted MgGa10 cuboctahedra that share corners with four equivalent Ga(2)Mg4Ga8 cuboctahedra, corners with eight equivalent Mg(1)Ga10 cuboctahedra, corners with eight equivalent Ga(3)Mg4Ga6 cuboctahedra, edges with two equivalent Mg(1)Ga10 cuboctahedra, edges with four equivalent Ga(1)Mg2Ga10 cuboctahedra, edges with four equivalent Ga(3)Mg4Ga6 cuboctahedra, edges with four equivalent Ga(2)Mg4Ga8 cuboctahedra, faces with four equivalent Mg(1)Ga10 cuboctahedra, faces with four equivalent Ga(2)Mg4Ga8 cuboctahedra, and faces with eight equivalent Ga(1)Mg2Ga10 cuboctahedra. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent Mg(1), two equivalent Ga(1), four equivalent Ga(2), and four equivalent Ga(3) atoms to form distorted GaMg2Ga10 cuboctahedra that share corners with four equivalent Ga(3)Mg4Ga6 cuboctahedra, corners with eight equivalent Ga(2)Mg4Ga8 cuboctahedra, corners with ten equivalent Ga(1)Mg2Ga10 cuboctahedra, edges with two equivalent Ga(1)Mg2Ga10 cuboctahedra, edges with four equivalent Mg(1)Ga10 cuboctahedra, edges with four equivalent Ga(3)Mg4Ga6 cuboctahedra, edges with four equivalent Ga(2)Mg4Ga8 cuboctahedra, faces with four equivalent Ga(1)Mg2Ga10 cuboctahedra, faces with four equivalent Ga(3)Mg4Ga6 cuboctahedra, faces with four equivalent Ga(2)Mg4Ga8 cuboctahedra, and faces with eight equivalent Mg(1)Ga10 cuboctahedra. In the second Ga site, Ga(2) is bonded to four equivalent Mg(1), two equivalent Ga(2), two equivalent Ga(3), and four equivalent Ga(1) atoms to form distorted GaMg4Ga8 cuboctahedra that share corners with four equivalent Mg(1)Ga10 cuboctahedra, corners with eight equivalent Ga(1)Mg2Ga10 cuboctahedra, corners with ten equivalent Ga(2)Mg4Ga8 cuboctahedra, edges with two equivalent Ga(2)Mg4Ga8 cuboctahedra, edges with four equivalent Mg(1)Ga10 cuboctahedra, edges with four equivalent Ga(1)Mg2Ga10 cuboctahedra, edges with four equivalent Ga(3)Mg4Ga6 cuboctahedra, faces with four equivalent Mg(1)Ga10 cuboctahedra, faces with four equivalent Ga(1)Mg2Ga10 cuboctahedra, faces with four equivalent Ga(2)Mg4Ga8 cuboctahedra, and faces with eight equivalent Ga(3)Mg4Ga6 cuboctahedra. In the third Ga site, Ga(3) is bonded to four equivalent Mg(1), two equivalent Ga(2), and four equivalent Ga(1) atoms to form distorted GaMg4Ga6 cuboctahedra that share corners with four equivalent Ga(1)Mg2Ga10 cuboctahedra, corners with eight equivalent Mg(1)Ga10 cuboctahedra, corners with eight equivalent Ga(3)Mg4Ga6 cuboctahedra, edges with two equivalent Ga(3)Mg4Ga6 cuboctahedra, edges with four equivalent Mg(1)Ga10 cuboctahedra, edges with four equivalent Ga(1)Mg2Ga10 cuboctahedra, edges with four equivalent Ga(2)Mg4Ga8 cuboctahedra, faces with four equivalent Ga(1)Mg2Ga10 cuboctahedra, faces with four equivalent Ga(3)Mg4Ga6 cuboctahedra, and faces with eight equivalent Ga(2)Mg4Ga8 cuboctahedra. is represented by the CIF file [CIF]
data_MgGa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.005
_cell_length_b   4.888
_cell_length_c   4.939
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   72.541
_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  0.000  0.500  0.338  1.0
  Ga  Ga1  1  0.000  0.000  0.990  1.0
  Ga  Ga2  1  0.500  0.000  0.501  1.0
  Ga  Ga3  1  0.500  0.500  0.839  1.0
[/CIF]
.
The material structure described by MgGa3 crystallizes in the orthorhombic Pmm2 space group. Mg(1) is bonded to two equivalent Ga(1), four equivalent Ga(2), and four equivalent Ga(3) atoms to form distorted MgGa10 cuboctahedra that share corners with four equivalent Ga(2)Mg4Ga8 cuboctahedra, corners with eight equivalent Mg(1)Ga10 cuboctahedra, corners with eight equivalent Ga(3)Mg4Ga6 cuboctahedra, edges with two equivalent Mg(1)Ga10 cuboctahedra, edges with four equivalent Ga(1)Mg2Ga10 cuboctahedra, edges with four equivalent Ga(3)Mg4Ga6 cuboctahedra, edges with four equivalent Ga(2)Mg4Ga8 cuboctahedra, faces with four equivalent Mg(1)Ga10 cuboctahedra, faces with four equivalent Ga(2)Mg4Ga8 cuboctahedra, and faces with eight equivalent Ga(1)Mg2Ga10 cuboctahedra. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent Mg(1), two equivalent Ga(1), four equivalent Ga(2), and four equivalent Ga(3) atoms to form distorted GaMg2Ga10 cuboctahedra that share corners with four equivalent Ga(3)Mg4Ga6 cuboctahedra, corners with eight equivalent Ga(2)Mg4Ga8 cuboctahedra, corners with ten equivalent Ga(1)Mg2Ga10 cuboctahedra, edges with two equivalent Ga(1)Mg2Ga10 cuboctahedra, edges with four equivalent Mg(1)Ga10 cuboctahedra, edges with four equivalent Ga(3)Mg4Ga6 cuboctahedra, edges with four equivalent Ga(2)Mg4Ga8 cuboctahedra, faces with four equivalent Ga(1)Mg2Ga10 cuboctahedra, faces with four equivalent Ga(3)Mg4Ga6 cuboctahedra, faces with four equivalent Ga(2)Mg4Ga8 cuboctahedra, and faces with eight equivalent Mg(1)Ga10 cuboctahedra. In the second Ga site, Ga(2) is bonded to four equivalent Mg(1), two equivalent Ga(2), two equivalent Ga(3), and four equivalent Ga(1) atoms to form distorted GaMg4Ga8 cuboctahedra that share corners with four equivalent Mg(1)Ga10 cuboctahedra, corners with eight equivalent Ga(1)Mg2Ga10 cuboctahedra, corners with ten equivalent Ga(2)Mg4Ga8 cuboctahedra, edges with two equivalent Ga(2)Mg4Ga8 cuboctahedra, edges with four equivalent Mg(1)Ga10 cuboctahedra, edges with four equivalent Ga(1)Mg2Ga10 cuboctahedra, edges with four equivalent Ga(3)Mg4Ga6 cuboctahedra, faces with four equivalent Mg(1)Ga10 cuboctahedra, faces with four equivalent Ga(1)Mg2Ga10 cuboctahedra, faces with four equivalent Ga(2)Mg4Ga8 cuboctahedra, and faces with eight equivalent Ga(3)Mg4Ga6 cuboctahedra. In the third Ga site, Ga(3) is bonded to four equivalent Mg(1), two equivalent Ga(2), and four equivalent Ga(1) atoms to form distorted GaMg4Ga6 cuboctahedra that share corners with four equivalent Ga(1)Mg2Ga10 cuboctahedra, corners with eight equivalent Mg(1)Ga10 cuboctahedra, corners with eight equivalent Ga(3)Mg4Ga6 cuboctahedra, edges with two equivalent Ga(3)Mg4Ga6 cuboctahedra, edges with four equivalent Mg(1)Ga10 cuboctahedra, edges with four equivalent Ga(1)Mg2Ga10 cuboctahedra, edges with four equivalent Ga(2)Mg4Ga8 cuboctahedra, faces with four equivalent Ga(1)Mg2Ga10 cuboctahedra, faces with four equivalent Ga(3)Mg4Ga6 cuboctahedra, and faces with eight equivalent Ga(2)Mg4Ga8 cuboctahedra. is represented by the CIF file [CIF]
data_MgGa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.005
_cell_length_b   4.888
_cell_length_c   4.939
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   72.541
_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  0.000  0.500  0.338  1.0
  Ga  Ga1  1  0.000  0.000  0.990  1.0
  Ga  Ga2  1  0.500  0.000  0.501  1.0
  Ga  Ga3  1  0.500  0.500  0.839  1.0
[/CIF]
.