data_MgGa2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.58
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGa2Fe
_chemical_formula_sum   'Mg1 Ga2 Fe1'
_cell_volume   62.44
_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  Mg3  1  0.0  0.0  0.78  1.0
  Ga  Ga1  1  0.0  0.0  0.35  1.0
  Ga  Ga2  1  0.59  0.79  0.34  1.0
  Fe  Fe0  1  0.59  0.79  0.23  1.0

data_MgGa2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   3.58
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGa2Fe
_chemical_formula_sum   'Mg1 Ga2 Fe1'
_cell_volume   62.44
_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  0.0  0.0  0.78  1.0
  Ga  Ga1  1  0.0  0.0  0.35  1.0
  Ga  Ga2  1  0.59  0.79  0.34  1.0
  Fe  Fe3  1  0.59  0.79  0.23  1.0

Mg Ga Ga Fe
Mg Ga Ga Fe 0 2 - - o 0 2 o - o 0 3 - - + 0 3 o - + 0 0 + o o 0 1 o o o 0 1 o o + 1 3 - - o 1 2 - - o 2 3 o o o 
MgFeGa2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgFeGa2 cluster. Mg(1) is bonded in a 1-coordinate geometry to one Ga(1) atom. The Mg(1)-Ga(1) bond length is 2.35 Å. Fe(1) is bonded in a single-bond geometry to one Ga(2) atom. The Fe(1)-Ga(2) bond length is 0.60 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 2-coordinate geometry to one Mg(1) and one Ga(2) atom. The Ga(1)-Ga(2) bond length is 1.50 Å. In the second Ga site, Ga(2) is bonded in a single-bond geometry to one Fe(1) and one Ga(1) atom.