data_MgGaFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   6.32
_cell_angle_alpha   154.66
_cell_angle_beta   154.66
_cell_angle_gamma   36.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGaFe
_chemical_formula_sum   'Mg1 Ga1 Fe1'
_cell_volume   46.25
_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  Mg2  1  0.0  0.0  0.92  1.0
  Ga  Ga1  1  0.0  0.0  0.18  1.0
  Fe  Fe0  1  0.0  0.0  0.94  1.0

data_MgGaFe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   6.32
_cell_angle_alpha   90.0
_cell_angle_beta   108.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgGaFe
_chemical_formula_sum   'Mg2 Ga2 Fe2'
_cell_volume   92.51
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.08  1.0
  Ga  Ga1  2  0.0  0.0  0.82  1.0
  Fe  Fe2  2  0.0  0.0  0.06  1.0

Mg Ga Fe
Mg Ga Fe 0 2 o o o 0 1 o o + 1 2 o o - 