data_[K2Fe4Pd2I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [11.6988]
_cell_length_b [8.1680]
_cell_length_c [10.2881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2978]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KFe2PdI8]
_chemical_formula_sum '[K2 Fe4 Pd2 I16]'
_cell_volume [977.1629]
_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
[
  K  K0  2  0.0000  0.0000  0.5000  1.0
  Fe  Fe1  4  0.1221  0.5000  0.7816  1.0
  Pd  Pd2  2  0.0000  0.0000  0.0000  1.0
  I  I3  8  0.0110  0.2503  0.2031  1.0
  I  I4  4  0.1979  0.5000  0.5588  1.0
  I  I5  4  0.2354  0.0000  0.0096  1.0
]