data_[Cs36K18Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [15.2647]
_cell_length_b [15.2647]
_cell_length_c [24.9982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs6K3Pd]
_chemical_formula_sum '[Cs36 K18 Pd6]'
_cell_volume [5044.4763]
_cell_formula_units_Z [6]
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
[
  Cs  Cs0  18  0.1062  0.2125  0.0788  1
  Cs  Cs1  18  0.1066  0.2132  0.4169  1
  K  K2  18  0.1067  0.2135  0.7560  1
  Pd  Pd3  3  -0.0000  -0.0000  0.5000  1
  Pd  Pd4  3  0.0000  0.0000  0.0000  1
]