data_[Pu16Bi4C8]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7277]
_cell_length_b [12.5604]
_cell_length_c [12.6666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pu4BiC2]
_chemical_formula_sum '[Pu16 Bi4 C8]'
_cell_volume [593.0702]
_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  8  0.0000  0.2390  0.5970  1
  Pu  Pu1  4  0.0000  0.1141  0.2500  1
  Pu  Pu2  4  0.0000  0.5000  0.0000  1
  Bi  Bi3  4  0.0000  0.4067  0.2500  1
  C  C4  8  0.0000  0.1285  0.0603  1
]