data_[La2Pu6Pa4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pu  1.2800  1.7500  0.9675
  Pa  1.5000  1.8000  1.0400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4206]
_cell_length_b [3.5354]
_cell_length_c [7.0355]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4118]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaPu3(PaN3)2]
_chemical_formula_sum '[La2 Pu6 Pa4 N12]'
_cell_volume [374.6024]
_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
[
  La  La0  2  0.0000  0.5000  0.0000  1
  Pu  Pu1  4  0.1659  0.0000  0.8357  1
  Pu  Pu2  2  0.0000  0.5000  0.5000  1
  Pa  Pa3  4  0.1679  0.0000  0.3349  1
  N  N4  4  0.0112  0.0000  0.2797  1
  N  N5  4  0.1684  0.5000  0.5737  1
  N  N6  4  0.1737  0.5000  0.1001  1
]