data_[Pu4Pa4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Pa  1.5000  1.8000  1.0400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5133]
_cell_length_b [3.6922]
_cell_length_c [7.2070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0916]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PuPaF]
_chemical_formula_sum '[Pu4 Pa4 F4]'
_cell_volume [251.7207]
_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  0.2216  0.5000  0.9093  1
  Pa  Pa1  4  0.0566  0.0000  0.2381  1
  F  F2  4  0.1302  0.0000  0.5897  1
]