data_Na2ZnPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62
_cell_length_b   3.62
_cell_length_c   8.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ZnPb
_chemical_formula_sum   'Na2 Zn1 Pb1'
_cell_volume   112.5
_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  0.49  0.0  0.47  1.0
  Na  Na1  1  0.0  0.0  0.19  1.0
  Zn  Zn3  1  0.0  0.0  0.24  1.0
  Pb  Pb2  1  0.49  0.0  1.0  1.0

data_Na2ZnPb
_symmetry_space_group_name_H-M   P2
_cell_length_a   3.62
_cell_length_b   8.6
_cell_length_c   3.62
_cell_angle_alpha   90.0
_cell_angle_beta   93.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   Na2ZnPb
_chemical_formula_sum   'Na2 Zn1 Pb1'
_cell_volume   112.5
_cell_formula_units_Z   1
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  1  0.0  0.81  0.0  1.0
  Na  Na1  1  0.5  0.53  0.0  1.0
  Zn  Zn2  1  0.0  0.76  0.0  1.0
  Pb  Pb3  1  0.5  0.0  0.0  1.0

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