data_[Pu8Bi4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Bi  2.0200  1.6000  1.0350
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.2968]
_cell_length_b [10.5715]
_cell_length_c [4.9816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Pu2BiN]
_chemical_formula_sum '[Pu8 Bi4 N4]'
_cell_volume [384.2716]
_cell_formula_units_Z [4]
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  4  0.2500  0.2500  0.0000  1
  Pu  Pu1  2  0.0000  0.0000  0.0000  1
  Pu  Pu2  2  0.0000  0.5000  0.5000  1
  Bi  Bi3  4  0.0000  0.1885  0.5000  1
  N  N4  4  0.2279  0.5000  0.0000  1
]