data_NaZnPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49
_cell_length_b   5.17
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   104.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZnPb2
_chemical_formula_sum   'Na1 Zn1 Pb2'
_cell_volume   109.55
_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  0.94  0.0  0.47  1.0
  Zn  Zn3  1  0.2  0.58  0.02  1.0
  Pb  Pb1  1  0.85  0.58  0.06  1.0
  Pb  Pb2  1  0.94  0.0  0.61  1.0

data_NaZnPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   5.17
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   104.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZnPb2
_chemical_formula_sum   'Na1 Zn1 Pb2'
_cell_volume   109.55
_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  0.94  0.0  0.47  1.0
  Zn  Zn1  1  0.2  0.58  0.02  1.0
  Pb  Pb2  1  0.85  0.58  0.06  1.0
  Pb  Pb3  1  0.94  0.0  0.61  1.0

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