data_[Li1Pu1U2Se4]
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 [P2/m]
_cell_length_a [6.9067]
_cell_length_b [3.9735]
_cell_length_c [7.2784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiPu(USe2)2]
_chemical_formula_sum '[Li1 Pu1 U2 Se4]'
_cell_volume [189.3855]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1
  Pu  Pu1  1  0.0000  0.0000  0.0000  1
  U  U2  1  0.0000  0.5000  0.5000  1
  U  U3  1  0.5000  0.0000  0.5000  1
  Se  Se4  2  0.2564  0.5000  0.2453  1
  Se  Se5  2  0.2613  0.0000  0.7578  1
]