data_[Ce16Pu2Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pu  1.2800  1.7500  0.9675
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4956]
_cell_length_b [5.2519]
_cell_length_c [6.5791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7429]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce8PuBi2]
_chemical_formula_sum '[Ce16 Pu2 Bi4]'
_cell_volume [597.6552]
_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
[
  Ce  Ce0  4  0.0072  0.0000  0.2259  1
  Ce  Ce1  4  0.0696  0.5000  0.4587  1
  Ce  Ce2  4  0.1362  0.5000  0.0278  1
  Ce  Ce3  4  0.2204  0.0000  0.3043  1
  Pu  Pu4  2  0.0000  0.5000  0.0000  1
  Bi  Bi5  4  0.1688  0.0000  0.7406  1
]