data_NaGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGa
_chemical_formula_sum   'Na2 Ga2'
_cell_volume   100.76
_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
  Na  Na0  1  0.03  0.09  0.22  1.0
  Na  Na1  1  0.03  0.91  0.67  1.0
  Ga  Ga2  1  0.03  0.81  0.22  1.0
  Ga  Ga3  1  0.03  0.19  0.67  1.0

data_NaGa
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.57
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NaGa
_chemical_formula_sum   'Na2 Ga2'
_cell_volume   100.76
_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
  Na  Na0  2  0.0  0.09  0.78  1.0
  Ga  Ga1  2  0.0  0.19  0.22  1.0

Na Na Ga Ga
Na Na Ga Ga 0 2 o - o 1 3 o + o 