data_[Ce12Pu2Bi6]
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 [P2_1/c]
_cell_length_a [6.7196]
_cell_length_b [8.3682]
_cell_length_c [12.6424]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.6449]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ce6PuBi3]
_chemical_formula_sum '[Ce12 Pu2 Bi6]'
_cell_volume [611.6124]
_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  0.1157  0.0346  0.2172  1
  Ce  Ce1  4  0.1858  0.7345  0.0528  1
  Ce  Ce2  4  0.3593  0.1421  0.0441  1
  Pu  Pu3  2  0.0000  0.0000  0.0000  1
  Bi  Bi4  4  0.2983  0.0983  0.7365  1
  Bi  Bi5  2  0.5000  0.0000  0.5000  1
]