data_NaLi2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   3.69
_cell_length_c   6.5
_cell_angle_alpha   90.0
_cell_angle_beta   97.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLi2Cl
_chemical_formula_sum   'Na1 Li2 Cl1'
_cell_volume   98.98
_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  0.0  0.0  0.0  1.0
  Li  Li1  1  0.27  0.85  0.78  1.0
  Li  Li2  1  0.02  0.85  0.67  1.0
  Cl  Cl0  1  0.64  0.0  0.22  1.0

data_NaLi2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   4.16
_cell_length_c   6.5
_cell_angle_alpha   97.72
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLi2Cl
_chemical_formula_sum   'Na1 Li2 Cl1'
_cell_volume   98.98
_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  0.0  0.0  1.0
  Li  Li1  1  0.15  0.73  0.22  1.0
  Li  Li2  1  0.15  0.98  0.33  1.0
  Cl  Cl3  1  0.0  0.36  0.78  1.0

Na Li Li Cl