data_NaLiGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   8.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLiGa2
_chemical_formula_sum   'Na1 Li1 Ga2'
_cell_volume   85.21
_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
  Na  Na3  1  0.11  0.0  0.03  1.0
  Li  Li2  1  0.0  0.0  0.96  1.0
  Ga  Ga0  1  0.0  0.0  0.55  1.0
  Ga  Ga1  1  0.11  0.0  0.72  1.0

data_NaLiGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   8.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLiGa2
_chemical_formula_sum   'Na1 Li1 Ga2'
_cell_volume   85.21
_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
  Na  Na0  1  0.11  0.0  0.03  1.0
  Li  Li1  1  0.0  0.0  0.96  1.0
  Ga  Ga2  1  0.0  0.0  0.55  1.0
  Ga  Ga3  1  0.11  0.0  0.72  1.0

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