data_[Cs2Cu4Pd2I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5019]
_cell_length_b [7.8715]
_cell_length_c [11.4119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6967]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsCu2PdI8]
_chemical_formula_sum '[Cs2 Cu4 Pd2 I16]'
_cell_volume [1033.1240]
_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
[
  Cs  Cs0  2  0.0000  0.0000  0.5000  1.0
  Cu  Cu1  4  0.1427  0.5000  0.1872  1.0
  Pd  Pd2  2  0.0000  0.0000  0.0000  1.0
  I  I3  8  0.0058  0.2349  0.1771  1.0
  I  I4  4  0.1674  0.5000  0.4086  1.0
  I  I5  4  0.2390  0.0000  0.9995  1.0
]