data_[Ce6Pu10]
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
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [9.1317]
_cell_length_b [9.1317]
_cell_length_c [17.5318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Ce3Pu5]
_chemical_formula_sum '[Ce6 Pu10]'
_cell_volume [1266.0658]
_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  6  0.2019  0.7981  0.5826  1
  Pu  Pu1  6  0.2034  0.4068  0.4405  1
  Pu  Pu2  3  0.0000  0.5000  0.4382  1
  Pu  Pu3  1  0.0000  0.0000  0.5469  1
]