data_[K18Pd6]
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
]
_symmetry_space_group_name_H-M [P6_3cm]
_cell_length_a [10.2810]
_cell_length_b [10.2810]
_cell_length_c [10.5515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [185]
_chemical_formula_structural [K3Pd]
_chemical_formula_sum '[K18 Pd6]'
_cell_volume [965.8648]
_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
[
  K  K0  6  0.0000  0.2803  0.0668  1
  K  K1  6  0.0000  0.3819  0.4178  1
  K  K2  4  0.3333  0.6667  0.2110  1
  K  K3  2  0.0000  0.0000  0.2955  1
  Pd  Pd4  6  0.0000  0.3256  0.7405  1
]