data_[H48Pb2C16I12N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  Pb  2.3300  1.8000  1.1225
  C  2.5500  0.7000  0.3000
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [9.8066]
_cell_length_b [9.2758]
_cell_length_c [15.2572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.2063]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [H24PbC8(I3N2)2]
_chemical_formula_sum '[H48 Pb2 C16 I12 N8]'
_cell_volume [1119.8559]
_cell_formula_units_Z [2]
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  H0  4  0.0417  0.1990  0.0795  1
  H  H1  4  0.0998  0.4233  0.4493  1
  H  H2  4  0.1040  0.3753  0.5645  1
  H  H3  4  0.1079  0.2255  0.3416  1
  H  H4  4  0.1139  0.0420  0.3813  1
  H  H5  4  0.1265  0.1298  0.5358  1
  H  H6  4  0.3749  0.3731  0.4664  1
  H  H7  4  0.3885  0.4594  0.6215  1
  H  H8  4  0.3930  0.2750  0.6596  1
  H  H9  4  0.3971  0.1283  0.4359  1
  H  H10  4  0.4033  0.0783  0.5517  1
  H  H11  4  0.4568  0.3035  0.9182  1
  Pb  Pb12  2  0.0000  0.2818  0.7500  1
  C  C13  4  0.1523  0.3476  0.5176  1
  C  C14  4  0.1589  0.1518  0.4108  1
  C  C15  4  0.3432  0.3498  0.5911  1
  C  C16  4  0.3497  0.1545  0.4836  1
  I  I17  4  0.2413  0.4587  0.2728  1
  I  I18  4  0.2443  0.0590  0.7301  1
  I  I19  4  0.2584  0.2493  0.0112  1
  N  N20  4  0.0900  0.2002  0.4710  1
  N  N21  4  0.4117  0.3019  0.5307  1
]