data_[K12Pd3]
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 [P31m]
_cell_length_a [10.6542]
_cell_length_b [10.6542]
_cell_length_c [18.9982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [K4Pd]
_chemical_formula_sum '[K12 Pd3]'
_cell_volume [1867.6122]
_cell_formula_units_Z [3]
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  0.2017  0.4138  0.6001  1
  K  K1  3  0.0000  0.7351  0.3896  1
  K  K2  2  0.3333  0.6667  0.4203  1
  K  K3  1  0.0000  0.0000  0.5198  1
  Pd  Pd4  3  0.0000  0.3199  0.4568  1
]