data_[Li4Pu4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pu  1.2800  1.7500  0.9675
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0810]
_cell_length_b [3.4999]
_cell_length_c [8.5112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8105]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiPuCl]
_chemical_formula_sum '[Li4 Pu4 Cl4]'
_cell_volume [235.6244]
_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  0.1214  0.5000  0.8242  1
  Pu  Pu1  4  0.1487  0.0000  0.4923  1
  Cl  Cl2  4  0.1749  0.5000  0.1591  1
]