data_MgGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.16
_cell_length_c   3.27
_cell_angle_alpha   77.26
_cell_angle_beta   72.35
_cell_angle_gamma   30.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGa2
_chemical_formula_sum   'Mg1 Ga2'
_cell_volume   61.13
_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  0.0  1.0
  Ga  Ga0  1  0.11  0.5  0.86  1.0
  Ga  Ga1  1  0.11  0.5  0.73  1.0

data_MgGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   6.16
_cell_angle_alpha   102.74
_cell_angle_beta   102.74
_cell_angle_gamma   99.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGa2
_chemical_formula_sum   'Mg1 Ga2'
_cell_volume   61.13
_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  0.0  1.0
  Ga  Ga1  1  0.53  0.5  0.39  1.0
  Ga  Ga2  1  0.66  0.5  0.39  1.0

Mg Ga Ga