data_Mg2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   6.88
_cell_angle_alpha   104.6
_cell_angle_beta   104.6
_cell_angle_gamma   31.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Ga
_chemical_formula_sum   'Mg4 Ga2'
_cell_volume   124.52
_cell_formula_units_Z   2
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  0.76  0.0  0.01  1.0
  Mg  Mg1  1  0.83  0.0  0.41  1.0
  Mg  Mg2  1  0.87  0.0  0.23  1.0
  Mg  Mg3  1  0.94  0.0  0.63  1.0
  Ga  Ga4  1  0.29  0.0  0.14  1.0
  Ga  Ga5  1  0.41  0.0  0.51  1.0

data_Mg2Ga
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.26
_cell_length_b   5.98
_cell_length_c   6.88
_cell_angle_alpha   104.6
_cell_angle_beta   90.0
_cell_angle_gamma   105.81
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Mg2Ga
_chemical_formula_sum   'Mg4 Ga2'
_cell_volume   124.52
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.02  0.41  1.0
  Mg  Mg1  2  0.0  0.09  0.81  1.0
  Ga  Ga2  2  0.0  0.44  0.32  1.0

Mg Mg Mg Mg Ga Ga