data_[H24Pb4C12S8I4N4]
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
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.8311]
_cell_length_b [8.4667]
_cell_length_c [11.8129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2849]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [H6PbC3S2IN]
_chemical_formula_sum '[H24 Pb4 C12 S8 I4 N4]'
_cell_volume [971.2795]
_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  H0  4  0.0228  0.7476  0.6674  1
  H  H1  4  0.0298  0.0792  0.1312  1
  H  H2  4  0.0530  0.5782  0.0983  1
  H  H3  4  0.0795  0.7472  0.3957  1
  H  H4  4  0.0859  0.0838  0.3573  1
  H  H5  4  0.1484  0.5697  0.4828  1
  Pb  Pb6  4  0.4932  0.2338  0.8786  1
  C  C7  4  0.0198  0.6227  0.1673  1
  C  C8  4  0.0756  0.6175  0.3915  1
  C  C9  4  0.2243  0.0229  0.8161  1
  S  S10  4  0.2672  0.0737  0.6969  1
  S  S11  4  0.3260  0.0893  0.9690  1
  I  I12  4  0.3465  0.5738  0.8185  1
  N  N13  4  0.1124  0.5646  0.2928  1
]