data_[Ca2Pu6Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pu  1.2800  1.7500  0.9675
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.8930]
_cell_length_b [9.1566]
_cell_length_c [7.9083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7766]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [CaPu3Bi4]
_chemical_formula_sum '[Ca2 Pu6 Bi8]'
_cell_volume [537.8471]
_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
[
  Ca  Ca0  2  0.0000  0.1265  0.7500  1
  Pu  Pu1  2  0.0000  0.3740  0.2500  1
  Pu  Pu2  2  0.5000  0.1244  0.2500  1
  Pu  Pu3  2  0.5000  0.3738  0.7500  1
  Bi  Bi4  4  0.2521  0.3793  0.0044  1
  Bi  Bi5  4  0.2579  0.1273  0.4979  1
]