data_Na2LiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   6.42
_cell_angle_alpha   118.09
_cell_angle_beta   118.09
_cell_angle_gamma   31.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LiCl
_chemical_formula_sum   'Na2 Li1 Cl1'
_cell_volume   119.3
_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  0.98  0.0  0.3  1.0
  Na  Na3  1  0.93  0.0  0.05  1.0
  Li  Li1  1  0.16  0.0  0.89  1.0
  Cl  Cl0  1  0.65  0.0  0.16  1.0

data_Na2LiCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   6.38
_cell_length_c   6.42
_cell_angle_alpha   118.09
_cell_angle_beta   90.0
_cell_angle_gamma   105.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LiCl
_chemical_formula_sum   'Na2 Li1 Cl1'
_cell_volume   119.3
_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  0.0  0.02  0.7  1.0
  Na  Na1  1  0.0  0.07  0.95  1.0
  Li  Li2  1  0.0  0.84  0.11  1.0
  Cl  Cl3  1  0.0  0.35  0.84  1.0

Na Na Li Cl