data_[K6Pd2Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2587]
_cell_length_b [7.9055]
_cell_length_c [12.5420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2606]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K3PdCl6]
_chemical_formula_sum '[K6 Pd2 Cl12]'
_cell_volume [594.8270]
_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  0.2822  0.0781  0.7517  1
  K  K1  2  0.5000  0.0000  0.5000  1
  Pd  Pd2  2  0.0000  0.0000  0.0000  1
  Cl  Cl3  4  0.1002  0.0453  0.2126  1
  Cl  Cl4  4  0.2417  0.7212  0.0724  1
  Cl  Cl5  4  0.3106  0.1614  0.0433  1
]