data_[K4Si12Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8933]
_cell_length_b [12.8929]
_cell_length_c [12.9330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KSi3Pd5]
_chemical_formula_sum '[K4 Si12 Pd20]'
_cell_volume [649.1801]
_cell_formula_units_Z [4]
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  0.0000  0.1647  0.2500  1
  Si  Si1  8  0.0000  0.3815  0.5322  1
  Si  Si2  4  0.0000  0.0999  0.7500  1
  Pd  Pd3  8  0.0000  0.2010  0.5676  1
  Pd  Pd4  8  0.0000  0.4488  0.1444  1
  Pd  Pd5  4  0.0000  0.0000  0.0000  1
]