data_Na2AlCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.1
_cell_length_b   9.1
_cell_length_c   9.1
_cell_angle_alpha   158.8
_cell_angle_beta   158.32
_cell_angle_gamma   30.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2AlCl
_chemical_formula_sum   'Na2 Al1 Cl1'
_cell_volume   100.59
_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  0.0  0.0  0.23  1.0
  Na  Na3  1  0.67  0.0  0.86  1.0
  Al  Al0  1  0.0  0.0  0.77  1.0
  Cl  Cl1  1  0.0  0.71  0.26  1.0

data_Na2AlCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   3.42
_cell_length_c   9.1
_cell_angle_alpha   100.84
_cell_angle_beta   100.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2AlCl
_chemical_formula_sum   'Na2 Al1 Cl1'
_cell_volume   100.59
_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  0.23  0.23  1.0
  Na  Na1  1  0.0  0.86  0.18  1.0
  Al  Al2  1  0.0  0.77  0.77  1.0
  Cl  Cl3  1  0.29  0.54  0.54  1.0

Na Na Al Cl