data_ZnPPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   3.45
_cell_length_c   8.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPPb2
_chemical_formula_sum   'Zn1 P1 Pb2'
_cell_volume   98.84
_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
  Zn  Zn3  1  0.03  0.0  0.89  1.0
  P  P0  1  0.0  0.0  0.68  1.0
  Pb  Pb1  1  0.03  0.0  0.36  1.0
  Pb  Pb2  1  0.0  0.0  0.13  1.0

data_ZnPPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   3.45
_cell_length_c   8.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPPb2
_chemical_formula_sum   'Zn1 P1 Pb2'
_cell_volume   98.84
_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
  Zn  Zn0  1  0.03  0.0  0.89  1.0
  P  P1  1  0.0  0.0  0.68  1.0
  Pb  Pb2  1  0.0  0.0  0.13  1.0
  Pb  Pb3  1  0.03  0.0  0.36  1.0

Zn P Pb Pb