data_[Li4Pu2Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3272]
_cell_length_b [4.3050]
_cell_length_c [9.2541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2601]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2PuBr6]
_chemical_formula_sum '[Li4 Pu2 Br12]'
_cell_volume [617.7046]
_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
[
  Li  Li0  4  0.1814  0.0000  0.9968  1
  Pu  Pu1  2  0.0000  0.0000  0.5000  1
  Br  Br2  4  0.0180  0.0000  0.7992  1
  Br  Br3  4  0.1187  0.5000  0.5404  1
  Br  Br4  4  0.2057  0.5000  0.1396  1
]