data_[Pu4Ag4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Ag  1.9300  1.6000  1.0867
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.6863]
_cell_length_b [9.3832]
_cell_length_c [8.6724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5318]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PuAgF5]
_chemical_formula_sum '[Pu4 Ag4 F20]'
_cell_volume [612.8432]
_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
[
  Pu  Pu0  4  0.0000  0.0000  0.0000  1
  Ag  Ag1  4  0.0000  0.4081  0.7500  1
  F  F2  8  0.0230  0.2138  0.9311  1
  F  F3  8  0.2170  0.4828  0.4371  1
  F  F4  4  0.0000  0.0685  0.2500  1
]