data_[Sr6La4Pu2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  La  1.1000  1.9500  1.1720
  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 [6.3884]
_cell_length_b [11.0736]
_cell_length_c [6.3885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5606]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3La2PuN6]
_chemical_formula_sum '[Sr6 La4 Pu2 N12]'
_cell_volume [425.8545]
_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  0.1619  0.5000  1
  Sr  Sr1  2  0.0000  0.5000  0.5000  1
  La  La2  4  0.0000  0.3327  0.0000  1
  Pu  Pu3  2  0.0000  0.0000  0.0000  1
  N  N4  8  0.2158  0.8534  0.2084  1
  N  N5  4  0.2239  0.0000  0.7960  1
]