data_[K2Pd2Se2Cl12]
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
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.2445]
_cell_length_b [10.9938]
_cell_length_c [6.5650]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0669]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KPdSeCl6]
_chemical_formula_sum '[K2 Pd2 Se2 Cl12]'
_cell_volume [581.8906]
_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  0.0281  0.5000  1.0
  Pd  Pd1  2  0.0000  0.3340  0.0000  1.0
  Se  Se2  2  0.0000  0.6740  0.0000  1.0
  Cl  Cl3  4  0.1342  0.4867  0.2218  1.0
  Cl  Cl4  4  0.1458  0.8067  0.2307  1.0
  Cl  Cl5  4  0.1590  0.1886  0.2000  1.0
]