data_[Pu4Pa2Br16]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4874]
_cell_length_b [7.0043]
_cell_length_c [7.8969]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4182]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu2PaBr8]
_chemical_formula_sum '[Pu4 Pa2 Br16]'
_cell_volume [801.3088]
_cell_formula_units_Z [2]
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  0.1247  0.0000  0.4499  1
  Pa  Pa1  2  0.0000  0.0000  0.0000  1
  Br  Br2  8  0.0315  0.2526  0.7213  1
  Br  Br3  4  0.1892  0.0000  0.0955  1
  Br  Br4  4  0.1948  0.5000  0.4069  1
]