data_NaPPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   6.44
_cell_angle_alpha   144.95
_cell_angle_beta   132.88
_cell_angle_gamma   60.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaPPb2
_chemical_formula_sum   'Na1 P1 Pb2'
_cell_volume   111.21
_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  0.13  1.0
  P  P1  1  0.0  0.57  0.87  1.0
  Pb  Pb2  1  0.0  0.0  0.46  1.0
  Pb  Pb3  1  0.94  0.0  0.83  1.0

data_NaPPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   5.15
_cell_length_c   6.44
_cell_angle_alpha   113.56
_cell_angle_beta   107.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaPPb2
_chemical_formula_sum   'Na1 P1 Pb2'
_cell_volume   111.21
_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  0.87  0.87  0.87  1.0
  P  P1  1  0.13  0.7  0.7  1.0
  Pb  Pb2  1  0.11  0.17  0.11  1.0
  Pb  Pb3  1  0.54  0.54  0.54  1.0

Na P Pb Pb