data_Mg3ZnGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3ZnGa
_chemical_formula_sum   'Mg3 Zn1 Ga1'
_cell_volume   130.2
_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  Mg1  1  0.53  0.0  0.53  1.0
  Mg  Mg2  1  0.53  0.53  0.0  1.0
  Mg  Mg3  1  0.0  0.53  0.53  1.0
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Ga  Ga4  1  0.53  0.53  0.53  1.0

data_Mg3ZnGa
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.17
_cell_length_b   7.17
_cell_length_c   8.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Mg3ZnGa
_chemical_formula_sum   'Mg9 Zn3 Ga3'
_cell_volume   390.6
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.18  0.36  0.36  1.0
  Zn  Zn1  3  0.0  0.0  0.0  1.0
  Ga  Ga2  3  0.0  0.0  0.53  1.0

Mg Mg Mg Zn Ga
Mg3ZnGa is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Mg(1) is bonded in a distorted linear geometry to one Zn(1) and two equivalent Ga(1) atoms. The Mg(1)-Zn(1) bond length is 3.34 Å. There is one shorter (2.36 Å) and one longer (2.71 Å) Mg(1)-Ga(1) bond length. Zn(1) is bonded in a 3-coordinate geometry to three equivalent Mg(1) atoms. Ga(1) is bonded to six equivalent Mg(1) atoms to form corner-sharing GaMg6 octahedra. The corner-sharing octahedra are not tilted.