data_[Cs2Fe4Pd2I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Fe  1.8300  1.4000  0.8525
  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 [11.7506]
_cell_length_b [8.1287]
_cell_length_c [11.0325]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4132]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsFe2PdI8]
_chemical_formula_sum '[Cs2 Fe4 Pd2 I16]'
_cell_volume [1039.6081]
_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
  Fe  Fe1  4  0.1117  0.5000  0.7953  1.0
  Pd  Pd2  2  0.0000  0.0000  0.0000  1.0
  I  I3  8  0.0212  0.2507  0.1912  1.0
  I  I4  4  0.1810  0.5000  0.5872  1.0
  I  I5  4  0.2354  0.0000  0.0089  1.0
]