data_[K5Pd3N3]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [9.1186]
_cell_length_b [9.1186]
_cell_length_c [3.8159]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [K5(PdN)3]
_chemical_formula_sum '[K5 Pd3 N3]'
_cell_volume [274.7766]
_cell_formula_units_Z [1]
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  3  0.0000  0.2645  0.5000  1.0
  K  K1  2  0.3333  0.6667  0.5000  1.0
  Pd  Pd2  3  0.0000  0.6364  0.0000  1.0
  N  N3  3  0.0000  0.6355  0.5000  1.0
]