data_[Li6Sm4Pu2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  Pu  1.2800  1.7500  0.9675
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1973]
_cell_length_b [12.4601]
_cell_length_c [6.9165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2848]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Sm2PuSe6]
_chemical_formula_sum '[Li6 Sm4 Pu2 Se12]'
_cell_volume [581.8019]
_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  0.1663  0.5000  1
  Li  Li1  2  0.0000  0.5000  0.5000  1
  Sm  Sm2  4  0.0000  0.3333  0.0000  1
  Pu  Pu3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.2483  0.3341  0.7426  1
  Se  Se5  4  0.2463  0.0000  0.7436  1
]