data_NaLiPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   5.92
_cell_angle_alpha   140.09
_cell_angle_beta   126.05
_cell_angle_gamma   69.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLiPb2
_chemical_formula_sum   'Na1 Li1 Pb2'
_cell_volume   105.79
_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  Na1  1  0.0  0.0  0.87  1.0
  Li  Li0  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.02  0.0  0.26  1.0
  Pb  Pb3  1  0.0  0.69  0.61  1.0

data_NaLiPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   5.37
_cell_length_c   5.92
_cell_angle_alpha   116.97
_cell_angle_beta   109.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLiPb2
_chemical_formula_sum   'Na1 Li1 Pb2'
_cell_volume   105.79
_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  0.13  0.13  0.13  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.39  0.07  0.07  1.0
  Pb  Pb3  1  0.76  0.74  0.76  1.0

Na Li Pb Pb