data_[K4Pd8F44]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.3937]
_cell_length_b [9.5630]
_cell_length_c [10.9871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [KPd2F11]
_chemical_formula_sum '[K4 Pd8 F44]'
_cell_volume [986.9958]
_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  0.0000  0.2500  1
  Pd  Pd1  8  0.1461  0.6551  0.5000  1
  F  F2  16  0.0402  0.2494  0.1227  1
  F  F3  16  0.2485  0.0588  0.3774  1
  F  F4  8  0.2195  0.3001  0.5000  1
  F  F5  4  0.0000  0.5000  0.0000  1
]