data_[Sm2Pu2Br2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Pu  1.2800  1.7500  0.9675
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0913]
_cell_length_b [4.1355]
_cell_length_c [7.8633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4055]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SmPuBrN2]
_chemical_formula_sum '[Sm2 Pu2 Br2 N4]'
_cell_volume [218.8067]
_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
[
  Sm  Sm0  2  0.3424  0.2500  0.0789  1
  Pu  Pu1  2  0.3495  0.2500  0.5802  1
  Br  Br2  2  0.0279  0.7500  0.7764  1
  N  N3  2  0.4641  0.7500  0.5989  1
  N  N4  2  0.4988  0.7500  0.1398  1
]