data_Na2LiGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.74
_cell_length_b   10.74
_cell_length_c   10.74
_cell_angle_alpha   17.76
_cell_angle_beta   17.76
_cell_angle_gamma   17.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LiGa
_chemical_formula_sum   'Na2 Li1 Ga1'
_cell_volume   100.77
_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  Na2  1  0.0  0.0  0.51  1.0
  Na  Na3  1  0.0  0.0  0.13  1.0
  Li  Li1  1  0.0  0.0  0.56  1.0
  Ga  Ga0  1  0.0  0.0  0.09  1.0

data_Na2LiGa
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.75
_cell_length_b   3.32
_cell_length_c   10.74
_cell_angle_alpha   90.0
_cell_angle_beta   100.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2LiGa
_chemical_formula_sum   'Na4 Li2 Ga2'
_cell_volume   201.55
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.49  1.0
  Na  Na1  2  0.0  0.0  0.87  1.0
  Li  Li2  2  0.0  0.0  0.44  1.0
  Ga  Ga3  2  0.0  0.0  0.91  1.0

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