data_LiAlCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   3.49
_cell_length_c   5.84
_cell_angle_alpha   90.0
_cell_angle_beta   113.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlCl2
_chemical_formula_sum   'Li1 Al1 Cl2'
_cell_volume   96.11
_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
  Li  Li3  1  0.2  0.0  0.58  1.0
  Al  Al0  1  0.04  0.75  0.9  1.0
  Cl  Cl1  1  0.82  0.0  0.62  1.0
  Cl  Cl2  1  0.3  0.75  0.95  1.0

data_LiAlCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   5.12
_cell_length_c   5.84
_cell_angle_alpha   113.15
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlCl2
_chemical_formula_sum   'Li1 Al1 Cl2'
_cell_volume   96.11
_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
  Li  Li0  1  0.0  0.8  0.42  1.0
  Al  Al1  1  0.25  0.96  0.1  1.0
  Cl  Cl2  1  0.0  0.18  0.38  1.0
  Cl  Cl3  1  0.25  0.7  0.05  1.0

Li Al Cl Cl