data_NaPbAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56
_cell_length_b   3.93
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaPbAu2
_chemical_formula_sum   'Na1 Pb1 Au2'
_cell_volume   89.87
_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
  Pb  Pb3  1  0.95  0.0  0.21  1.0
  Au  Au0  1  0.67  0.97  0.95  1.0
  Au  Au1  1  0.77  0.97  0.48  1.0

data_NaPbAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   3.93
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaPbAu2
_chemical_formula_sum   'Na1 Pb1 Au2'
_cell_volume   89.87
_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
  Pb  Pb1  1  0.95  0.0  0.21  1.0
  Au  Au2  1  0.67  0.97  0.95  1.0
  Au  Au3  1  0.77  0.97  0.48  1.0

Na Pb Au Au
Na Pb Au Au 0 2 - - - 0 1 - o o 1 3 o - o 