data_[Pu8Bi6N4]
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 [C2/m]
_cell_length_a [14.3770]
_cell_length_b [3.7656]
_cell_length_c [9.2340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9890]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu4Bi3N2]
_chemical_formula_sum '[Pu8 Bi6 N4]'
_cell_volume [445.4665]
_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  4  0.1336  0.0000  0.4228  1
  Pu  Pu1  4  0.2033  0.5000  0.1302  1
  Bi  Bi2  4  0.0867  0.5000  0.7088  1
  Bi  Bi3  2  0.0000  0.0000  0.0000  1
  N  N4  4  0.2021  0.5000  0.3674  1
]