data_[Sr6Sm4Pu2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [6.2280]
_cell_length_b [10.7901]
_cell_length_c [6.3699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1175]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3Sm2PuN6]
_chemical_formula_sum '[Sr6 Sm4 Pu2 N12]'
_cell_volume [404.4580]
_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
[
  Sr  Sr0  4  0.0000  0.1658  0.5000  1
  Sr  Sr1  2  0.0000  0.5000  0.5000  1
  Sm  Sm2  4  0.0000  0.3329  0.0000  1
  Pu  Pu3  2  0.0000  0.0000  0.0000  1
  N  N4  8  0.2200  0.1509  0.2078  1
  N  N5  4  0.2300  0.0000  0.7965  1
]