data_[Nd2Pu2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Pu  1.2800  1.7500  0.9675
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5017]
_cell_length_b [4.1387]
_cell_length_c [13.8432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5020]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdPuBr5]
_chemical_formula_sum '[Nd2 Pu2 Br10]'
_cell_volume [486.1773]
_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
[
  Nd  Nd0  2  0.4191  0.7500  0.3438  1
  Pu  Pu1  2  0.0889  0.2500  0.1425  1
  Br  Br2  2  0.0698  0.7500  0.3062  1
  Br  Br3  2  0.1469  0.2500  0.9290  1
  Br  Br4  2  0.3176  0.2500  0.4834  1
  Br  Br5  2  0.3483  0.7500  0.1294  1
  Br  Br6  2  0.3627  0.7500  0.7119  1
]