data_[Cd4Pb4I14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  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 [9.3306]
_cell_length_b [14.2189]
_cell_length_c [8.2711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1068]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd2Pb2I7]
_chemical_formula_sum '[Cd4 Pb4 I14]'
_cell_volume [1088.9034]
_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
[
  Cd  Cd0  4  0.2254  0.5000  0.1234  1
  Pb  Pb1  4  0.0000  0.3183  0.5000  1
  I  I2  8  0.2365  0.1931  0.7284  1
  I  I3  4  0.0821  0.5000  0.7566  1
  I  I4  2  0.0000  0.0000  0.0000  1
]