data_[Pu2N2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.3241]
_cell_length_b [3.4305]
_cell_length_c [10.5379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8979]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PuNCl]
_chemical_formula_sum '[Pu2 N2 Cl2]'
_cell_volume [120.1536]
_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
[
  Pu  Pu0  2  0.2564  0.7500  0.1293  1
  N  N1  2  0.2459  0.7500  0.9182  1
  Cl  Cl2  2  0.2336  0.2500  0.6671  1
]