data_H4PbNCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.62
_cell_length_b   4.44
_cell_length_c   15.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H4PbNCl3
_chemical_formula_sum   'H16 Pb4 N4 Cl12'
_cell_volume   660.09
_cell_formula_units_Z   4
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
  H  H4  1  0.69  0.5  0.99  1.0
  H  H5  1  0.94  0.28  0.44  1.0
  H  H6  1  0.5  0.17  0.73  1.0
  H  H7  1  0.13  0.95  0.71  1.0
  H  H8  1  0.94  0.95  0.44  1.0
  H  H9  1  0.69  0.17  0.99  1.0
  H  H10  1  0.13  0.28  0.71  1.0
  H  H11  1  0.5  0.5  0.73  1.0
  H  H12  1  0.55  0.11  0.99  1.0
  H  H13  1  0.07  0.33  0.44  1.0
  H  H14  1  0.36  0.11  0.16  1.0
  H  H15  1  0.26  0.33  0.28  1.0
  H  H16  1  0.99  0.11  0.62  1.0
  H  H17  1  0.64  0.33  0.82  1.0
  H  H18  1  0.18  0.11  0.53  1.0
  H  H19  1  0.45  0.33  0.9  1.0
  Pb  Pb0  1  0.98  0.11  0.99  1.0
  Pb  Pb1  1  0.64  0.33  0.45  1.0
  Pb  Pb2  1  0.17  0.11  0.73  1.0
  Pb  Pb3  1  0.45  0.33  0.71  1.0
  N  N20  1  0.09  0.33  0.93  1.0
  N  N21  1  0.54  0.11  0.51  1.0
  N  N22  1  0.28  0.33  0.79  1.0
  N  N23  1  0.35  0.11  0.65  1.0
  Cl  Cl24  1  0.1  0.11  0.65  1.0
  Cl  Cl25  1  0.53  0.33  0.79  1.0
  Cl  Cl26  1  0.29  0.11  0.07  1.0
  Cl  Cl27  1  0.34  0.33  0.37  1.0
  Cl  Cl28  1  0.29  0.33  0.15  1.0
  Cl  Cl29  1  0.33  0.11  0.29  1.0
  Cl  Cl30  1  0.48  0.33  0.57  1.0
  Cl  Cl31  1  0.14  0.11  0.86  1.0
  Cl  Cl32  1  0.43  0.11  0.81  1.0
  Cl  Cl33  1  0.19  0.33  0.63  1.0
  Cl  Cl34  1  0.62  0.11  0.35  1.0
  Cl  Cl35  1  1.0  0.33  0.09  1.0

data_H4PbNCl3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.44
_cell_length_b   9.62
_cell_length_c   15.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   H4PbNCl3
_chemical_formula_sum   'H16 Pb4 N4 Cl12'
_cell_volume   660.09
_cell_formula_units_Z   4
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
  H  H0  2  0.22  0.13  0.73  1.0
  H  H1  2  0.22  0.31  0.99  1.0
  H  H2  2  0.39  0.18  0.9  1.0
  H  H3  2  0.39  0.36  0.82  1.0
  H  H4  2  0.39  0.55  0.44  1.0
  H  H5  2  0.39  0.74  0.28  1.0
  H  H6  2  0.45  0.69  0.01  1.0
  H  H7  2  0.45  0.87  0.27  1.0
  Pb  Pb8  2  0.39  0.17  0.27  1.0
  Pb  Pb9  2  0.39  0.36  0.01  1.0
  N  N10  2  0.39  0.54  0.93  1.0
  N  N11  2  0.39  0.72  0.79  1.0
  Cl  Cl12  2  0.39  0.29  0.93  1.0
  Cl  Cl13  2  0.39  0.33  0.15  1.0
  Cl  Cl14  2  0.39  0.47  0.35  1.0
  Cl  Cl15  2  0.39  0.52  0.57  1.0
  Cl  Cl16  2  0.39  0.62  0.09  1.0
  Cl  Cl17  2  0.39  0.81  0.63  1.0

H H H H H H H H H H H H H H H H Pb Pb Pb Pb N N N N Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl