data_[K2Pd2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pd  2.2000  1.4000  0.8462
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.4232]
_cell_length_b [7.6315]
_cell_length_c [7.5174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5435]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KPdI4]
_chemical_formula_sum '[K2 Pd2 I8]'
_cell_volume [480.0875]
_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  0.0000  1.0
  Pd  Pd1  2  0.5000  0.0000  0.5000  1.0
  I  I2  4  0.1873  0.5793  0.9526  1.0
  I  I3  4  0.4218  0.1959  0.7963  1.0
]