data_NaLaAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   3.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLaAl2
_chemical_formula_sum   'Na1 La1 Al2'
_cell_volume   103.21
_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
  La  La2  1  0.59  0.0  0.0  1.0
  Al  Al0  1  0.8  0.2  0.64  1.0
  Al  Al1  1  0.8  0.8  0.64  1.0

data_NaLaAl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   101.45
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLaAl2
_chemical_formula_sum   'Na1 La1 Al2'
_cell_volume   103.21
_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
  La  La1  1  0.0  0.59  0.0  1.0
  Al  Al2  1  0.64  0.8  0.2  1.0
  Al  Al3  1  0.64  0.8  0.8  1.0

Na La Al Al