data_[Cd2Pb4I2O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8177]
_cell_length_b [6.1782]
_cell_length_c [10.2811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2129]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CdPb2IO6]
_chemical_formula_sum '[Cd2 Pb4 I2 O12]'
_cell_volume [305.5889]
_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  2  0.5000  0.0000  0.0000  1.0
  Pb  Pb1  4  0.2701  0.5490  0.7652  1.0
  I  I2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1614  0.5430  0.2320  1.0
  O  O4  4  0.2463  0.2417  0.0494  1.0
  O  O5  4  0.3058  0.6845  0.0189  1.0
]