data_[K4Pa4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pa  1.5000  1.8000  1.0400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.4079]
_cell_length_b [7.5382]
_cell_length_c [7.7231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9474]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KPaF5]
_chemical_formula_sum '[K4 Pa4 F20]'
_cell_volume [599.2409]
_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  0.0000  1
  Pa  Pa1  4  0.0000  0.4579  0.2500  1
  F  F2  8  0.1205  0.2250  0.3096  1
  F  F3  8  0.1245  0.4709  0.6084  1
  F  F4  4  0.0000  0.2481  0.7500  1
]