data_[La32Pu16Se48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pu  1.2800  1.7500  0.9675
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [8.5399]
_cell_length_b [12.0536]
_cell_length_c [25.5309]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [La2PuSe3]
_chemical_formula_sum '[La32 Pu16 Se48]'
_cell_volume [2628.0668]
_cell_formula_units_Z [16]
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
[
  La  La0  16  0.0000  0.0000  0.2512  1
  La  La1  16  0.0000  0.0000  0.4177  1
  Pu  Pu2  16  0.0000  0.0000  0.0834  1
  Se  Se3  32  0.0048  0.2457  0.0851  1
  Se  Se4  16  0.0098  0.2500  0.2500  1
]