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 [7.2676]
_cell_length_b [7.9139]
_cell_length_c [12.5591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2686]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K3PdCl6]
_chemical_formula_sum '[K6 Pd2 Cl12]'
_cell_volume [596.9390]
_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  0.5781  0.2517  1.0
  K  K1  2  0.5000  0.0000  0.5000  1.0
  Pd  Pd2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.1002  0.5453  0.7127  1.0
  Cl  Cl4  4  0.2417  0.2213  0.5724  1.0
  Cl  Cl5  4  0.3107  0.6614  0.5433  1.0
]