data_[Li2Pu10Se16]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.6642]
_cell_length_b [8.6642]
_cell_length_c [8.7826]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [LiPu5Se8]
_chemical_formula_sum '[Li2 Pu10 Se16]'
_cell_volume [659.3017]
_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  2  0.0000  0.5000  0.2500  1
  Pu  Pu1  8  0.1272  0.7516  0.8794  1
  Pu  Pu2  2  0.0000  0.0000  0.5000  1
  Se  Se3  8  0.0728  0.8214  0.2027  1
  Se  Se4  8  0.0780  0.6770  0.5590  1
]