data_NaPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   129.67
_cell_angle_beta   127.99
_cell_angle_gamma   75.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaPb
_chemical_formula_sum   'Na2 Pb2'
_cell_volume   117.6
_cell_formula_units_Z   2
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  0.48  0.28  0.5  1.0
  Na  Na1  1  0.0  0.28  0.13  1.0
  Pb  Pb2  1  0.48  0.28  0.78  1.0
  Pb  Pb3  1  0.0  0.28  0.84  1.0

data_NaPb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.97
_cell_length_b   5.12
_cell_length_c   5.84
_cell_angle_alpha   116.01
_cell_angle_beta   115.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NaPb
_chemical_formula_sum   'Na2 Pb2'
_cell_volume   117.6
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.5  0.18  0.44  1.0
  Pb  Pb1  2  0.5  0.47  0.73  1.0

Na Na Pb Pb