data_[Ce4Pu4]
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 [C2/m]
_cell_length_a [10.6116]
_cell_length_b [3.3215]
_cell_length_c [5.9783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CePu]
_chemical_formula_sum '[Ce4 Pu4]'
_cell_volume [202.5117]
_cell_formula_units_Z [4]
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  4  0.1040  0.5000  0.3144  1
  Pu  Pu1  4  0.1274  0.0000  0.8190  1
]