data_[Pu4Np2Br16]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [24.8716]
_cell_length_b [4.1297]
_cell_length_c [8.1194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2312]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu2NpBr8]
_chemical_formula_sum '[Pu4 Np2 Br16]'
_cell_volume [820.6996]
_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  0.1684  0.0000  0.3602  1
  Np  Np1  2  0.0000  0.5000  0.0000  1
  Br  Br2  4  0.0007  0.0000  0.7545  1
  Br  Br3  4  0.1192  0.5000  0.5366  1
  Br  Br4  4  0.1199  0.5000  0.0772  1
  Br  Br5  4  0.2474  0.0000  0.6926  1
]