data_[Li4Pu2Hf4Se12]
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
  Hf  1.3000  1.5500  0.8500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7388]
_cell_length_b [11.8195]
_cell_length_c [6.8782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2282]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Pu(HfSe3)2]
_chemical_formula_sum '[Li4 Pu2 Hf4 Se12]'
_cell_volume [517.2871]
_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  0.0000  0.1627  0.0000  1
  Pu  Pu1  2  0.0000  0.0000  0.5000  1
  Hf  Hf2  4  0.0000  0.3342  0.5000  1
  Se  Se3  8  0.2429  0.6787  0.2548  1
  Se  Se4  4  0.2264  0.5000  0.7477  1
]