data_[Pu4Zr8Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Zr  1.3300  1.5500  0.8600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8795]
_cell_length_b [15.9315]
_cell_length_c [3.6211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7388]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pu(ZrBi)2]
_chemical_formula_sum '[Pu4 Zr8 Bi8]'
_cell_volume [542.8412]
_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  0.0000  0.0459  0.7500  1
  Zr  Zr1  8  0.2466  0.0891  0.5345  1
  Bi  Bi2  4  0.0000  0.2181  0.2500  1
  Bi  Bi3  4  0.0000  0.4084  0.7500  1
]