data_[Ce36Pu3Zn18]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.9634]
_cell_length_b [13.9634]
_cell_length_c [8.6735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ce12PuZn6]
_chemical_formula_sum '[Ce36 Pu3 Zn18]'
_cell_volume [1464.5481]
_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
[
  Ce  Ce0  18  0.0221  0.7807  0.4006  1
  Ce  Ce1  18  0.0242  0.2480  0.9120  1
  Pu  Pu2  3  0.0000  0.0000  0.0000  1
  Zn  Zn3  18  0.0011  0.8412  0.7521  1
]