data_[La4Y2Pu6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  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 [18.2669]
_cell_length_b [4.1832]
_cell_length_c [8.4030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7733]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Y(PuSe2)3]
_chemical_formula_sum '[La4 Y2 Pu6 Se12]'
_cell_volume [626.2109]
_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
[
  La  La0  4  0.1654  0.0000  0.3345  1
  Y  Y1  2  0.0000  0.5000  0.0000  1
  Pu  Pu2  4  0.1686  0.0000  0.8357  1
  Pu  Pu3  2  0.0000  0.5000  0.5000  1
  Se  Se4  4  0.0038  0.0000  0.7555  1
  Se  Se5  4  0.1647  0.5000  0.0743  1
  Se  Se6  4  0.1647  0.5000  0.5920  1
]