data_[Pu2Np2Br4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Np  1.3600  1.7500  1.0000
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0799]
_cell_length_b [5.6857]
_cell_length_c [6.2057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6011]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PuNp(BrO3)2]
_chemical_formula_sum '[Pu2 Np2 Br4 O12]'
_cell_volume [425.3808]
_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  2  0.0000  0.5000  0.5000  1
  Np  Np1  2  0.0000  0.0000  0.0000  1
  Br  Br2  4  0.2425  0.0000  0.9921  1
  O  O3  8  0.0017  0.2355  0.2171  1
  O  O4  4  0.1465  0.5000  0.5155  1
]