data_[Ac36Pu3Sn18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pu  1.2800  1.7500  0.9675
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.5273]
_cell_length_b [14.5273]
_cell_length_c [13.3556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ac12PuSn6]
_chemical_formula_sum '[Ac36 Pu3 Sn18]'
_cell_volume [2440.9600]
_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
[
  Ac  Ac0  18  0.0327  0.8264  0.3914  1
  Ac  Ac1  18  0.0560  0.8568  0.8796  1
  Pu  Pu2  3  0.0000  0.0000  0.0000  1
  Sn  Sn3  18  0.0502  0.7704  0.6432  1
]