data_[Na3Ca6Pu3Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [R-3m]
_cell_length_a [5.5777]
_cell_length_b [5.5777]
_cell_length_c [27.4764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [NaCa2PuBi4]
_chemical_formula_sum '[Na3 Ca6 Pu3 Bi12]'
_cell_volume [740.2873]
_cell_formula_units_Z [3]
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
[
  Na  Na0  3  0.0000  0.0000  0.0000  1
  Ca  Ca1  6  0.0000  0.0000  0.2566  1
  Pu  Pu2  3  -0.0000  -0.0000  0.5000  1
  Bi  Bi3  6  0.0000  0.0000  0.1285  1
  Bi  Bi4  6  0.0000  0.0000  0.3785  1
]