data_NaAlCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   3.71
_cell_angle_alpha   106.03
_cell_angle_beta   106.03
_cell_angle_gamma   88.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAlCl2
_chemical_formula_sum   'Na1 Al1 Cl2'
_cell_volume   100.96
_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
  Al  Al0  1  0.89  0.0  0.0  1.0
  Cl  Cl1  1  0.23  0.11  0.71  1.0
  Cl  Cl2  1  0.23  0.89  0.71  1.0

data_NaAlCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   88.46
_cell_angle_beta   73.97
_cell_angle_gamma   73.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAlCl2
_chemical_formula_sum   'Na1 Al1 Cl2'
_cell_volume   100.96
_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
  Al  Al1  1  0.0  0.11  0.0  1.0
  Cl  Cl2  1  0.71  0.77  0.11  1.0
  Cl  Cl3  1  0.71  0.77  0.89  1.0

Na Al Cl Cl