data_[Li4Ce4Pu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [7.7457]
_cell_length_b [3.2554]
_cell_length_c [11.9429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6018]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiCePu]
_chemical_formula_sum '[Li4 Ce4 Pu4]'
_cell_volume [285.4104]
_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
[
  Li  Li0  4  0.1678  0.0000  0.5554  1
  Ce  Ce1  4  0.1841  0.5000  0.1222  1
  Pu  Pu2  4  0.0414  0.5000  0.7453  1
]