data_Na2Li
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   8.26
_cell_angle_alpha   104.4
_cell_angle_beta   104.4
_cell_angle_gamma   29.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2Li
_chemical_formula_sum   'Na4 Li2'
_cell_volume   180.78
_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  Na2  1  0.12  0.0  0.04  1.0
  Na  Na3  1  0.77  0.0  0.94  1.0
  Na  Na4  1  0.59  0.0  0.21  1.0
  Na  Na5  1  0.3  0.0  0.76  1.0
  Li  Li0  1  0.13  0.0  0.51  1.0
  Li  Li1  1  0.76  0.0  0.46  1.0

data_Na2Li
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.48
_cell_length_b   6.74
_cell_length_c   8.26
_cell_angle_alpha   104.4
_cell_angle_beta   90.0
_cell_angle_gamma   104.96
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Na2Li
_chemical_formula_sum   'Na4 Li2'
_cell_volume   180.78
_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  0.18  0.05  1.0
  Na  Na1  2  0.0  0.35  0.77  1.0
  Li  Li2  2  0.0  0.18  0.52  1.0

Na Na Na Na Li Li