data_NaLaAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   134.47
_cell_angle_beta   125.0
_cell_angle_gamma   74.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLaAl2
_chemical_formula_sum   'Na1 La1 Al2'
_cell_volume   101.31
_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  0.12  1.0
  La  La2  1  0.0  0.6  0.22  1.0
  Al  Al0  1  0.0  0.6  0.06  1.0
  Al  Al1  1  0.0  0.0  0.05  1.0

data_NaLaAl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.35
_cell_length_b   5.19
_cell_length_c   5.62
_cell_angle_alpha   117.5
_cell_angle_beta   112.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLaAl2
_chemical_formula_sum   'Na1 La1 Al2'
_cell_volume   101.31
_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  0.12  0.12  1.0
  La  La1  1  0.4  0.63  0.63  1.0
  Al  Al2  1  0.0  0.05  0.05  1.0
  Al  Al3  1  0.4  0.47  0.47  1.0

Na La Al Al
Na La Al Al 0 3 o o o 1 2 o o o 