data_NaAl2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   131.39
_cell_angle_beta   131.39
_cell_angle_gamma   71.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAl2Pb
_chemical_formula_sum   'Na1 Al2 Pb1'
_cell_volume   92.97
_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  0.0  1.0
  Al  Al0  1  0.0  0.0  0.49  1.0
  Al  Al1  1  0.0  0.27  0.25  1.0
  Pb  Pb3  1  0.27  0.0  0.25  1.0

data_NaAl2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   5.53
_cell_angle_alpha   114.31
_cell_angle_beta   114.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAl2Pb
_chemical_formula_sum   'Na1 Al2 Pb1'
_cell_volume   92.97
_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  0.49  0.49  0.49  1.0
  Al  Al2  1  0.97  0.25  0.97  1.0
  Pb  Pb3  1  0.25  0.97  0.97  1.0

Na Al Al Pb