data_[K4Pd2I4Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8901]
_cell_length_b [7.6427]
_cell_length_c [9.1554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.4572]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Pd(IBr2)2]
_chemical_formula_sum '[K4 Pd2 I4 Br8]'
_cell_volume [660.4330]
_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  4  0.0478  0.5000  0.8064  1.0
  Pd  Pd1  2  0.0000  0.0000  0.0000  1.0
  I  I2  4  0.0204  0.0000  0.3625  1.0
  Br  Br3  8  0.1845  0.2279  0.1667  1.0
]