data_Mg2InGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   9.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2InGa
_chemical_formula_sum   'Mg2 In1 Ga1'
_cell_volume   89.44
_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  Mg2  1  0.8  0.0  0.11  1.0
  Mg  Mg3  1  0.8  0.0  0.19  1.0
  In  In1  1  0.0  0.0  0.65  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0

data_Mg2InGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   9.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2InGa
_chemical_formula_sum   'Mg2 In1 Ga1'
_cell_volume   89.44
_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  0.8  0.0  0.11  1.0
  Mg  Mg1  1  0.8  0.0  0.19  1.0
  In  In2  1  0.0  0.0  0.65  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0

Mg Mg In Ga
Mg Mg In Ga 0 1 o o o 0 3 + o o 2 2 + + o 2 2 o + o 2 2 + o o 2 3 o o + 