data_[Li2Ce1Pu1Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.2927]
_cell_length_b [8.3063]
_cell_length_c [6.3402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7437]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2CePuCl8]
_chemical_formula_sum '[Li2 Ce1 Pu1 Cl8]'
_cell_volume [331.0184]
_cell_formula_units_Z [1]
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  2  0.5000  0.2572  0.5000  1
  Ce  Ce1  1  0.0000  0.0000  0.0000  1
  Pu  Pu2  1  0.0000  0.5000  0.0000  1
  Cl  Cl3  4  0.2067  0.2500  0.8062  1
  Cl  Cl4  2  0.3036  0.5000  0.3149  1
  Cl  Cl5  2  0.3036  0.0000  0.3145  1
]