data_[Sm4Pu6N8]
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 [11.7578]
_cell_length_b [3.5298]
_cell_length_c [8.6914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0546]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Pu3N4]
_chemical_formula_sum '[Sm4 Pu6 N8]'
_cell_volume [312.2138]
_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  0.1051  0.5000  0.3884  1
  Pu  Pu1  4  0.2034  0.0000  0.8077  1
  Pu  Pu2  2  0.0000  0.0000  0.0000  1
  N  N3  4  0.1084  0.5000  0.9162  1
  N  N4  4  0.2015  0.0000  0.2952  1
]