data_[Cd4Pd4I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Pd  2.2000  1.4000  0.8462
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.9522]
_cell_length_b [4.0088]
_cell_length_c [7.0682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CdPdI]
_chemical_formula_sum '[Cd4 Pd4 I4]'
_cell_volume [310.3300]
_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
[
  Cd  Cd0  4  0.1389  0.0000  0.2742  1
  Pd  Pd1  2  0.0000  0.0000  0.6069  1
  Pd  Pd2  2  0.5000  0.0000  0.3150  1
  I  I3  4  0.3267  0.0000  0.5981  1
]