data_[H4Pb4I6]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4026]
_cell_length_b [4.6015]
_cell_length_c [7.3278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6269]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [H2Pb2I3]
_chemical_formula_sum '[H4 Pb4 I6]'
_cell_volume [559.2464]
_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  0.0184  0.0000  0.5486  1
  Pb  Pb1  4  0.1178  0.0000  0.8809  1
  I  I2  4  0.2082  0.5000  0.7302  1
  I  I3  2  0.0000  0.5000  0.0000  1
]