data_[Pu4Re2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9359]
_cell_length_b [5.6881]
_cell_length_c [6.6471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3987]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pu2ReN4]
_chemical_formula_sum '[Pu4 Re2 N8]'
_cell_volume [212.9578]
_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  0.2186  0.2500  0.4312  1
  Pu  Pu1  2  0.3062  0.2500  0.9510  1
  Re  Re2  2  0.2408  0.7500  0.1931  1
  N  N3  4  0.4586  0.5010  0.2443  1
  N  N4  2  0.0458  0.7500  0.9153  1
  N  N5  2  0.0471  0.7500  0.3666  1
]