data_KPPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   4.66
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   110.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPPb2
_chemical_formula_sum   'K1 P1 Pb2'
_cell_volume   135.54
_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
  K  K0  1  0.48  0.0  0.87  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.17  0.33  0.74  1.0
  Pb  Pb3  1  0.79  0.33  0.01  1.0

data_KPPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.66
_cell_length_b   5.06
_cell_length_c   6.12
_cell_angle_alpha   110.06
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPPb2
_chemical_formula_sum   'K1 P1 Pb2'
_cell_volume   135.54
_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
  K  K0  1  0.0  0.52  0.13  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.67  0.21  0.99  1.0
  Pb  Pb3  1  0.67  0.83  0.26  1.0

K P Pb Pb