data_[Sm4Pu4N6]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8528]
_cell_length_b [3.5037]
_cell_length_c [6.1825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1629]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Pu2N3]
_chemical_formula_sum '[Sm4 Pu4 N6]'
_cell_volume [251.8954]
_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  4  0.1245  0.5000  0.8781  1
  Pu  Pu1  4  0.1307  0.0000  0.3622  1
  N  N2  4  0.2409  0.5000  0.2596  1
  N  N3  2  0.0000  0.0000  0.0000  1
]