data_[Li4Pu4U4Se16]
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
  U  1.3800  1.7500  0.9913
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.3000]
_cell_length_b [8.3309]
_cell_length_c [11.8104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [LiPuUSe4]
_chemical_formula_sum '[Li4 Pu4 U4 Se16]'
_cell_volume [816.6464]
_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  0.0000  0.2500  0.3791  1
  Pu  Pu1  4  0.0000  0.0000  0.0000  1
  U  U2  4  0.2500  0.2500  0.7500  1
  Se  Se3  8  0.0000  0.0155  0.7529  1
  Se  Se4  8  0.2420  0.2500  0.9882  1
]