data_[La8Pu4Pd4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pu  1.2800  1.7500  0.9675
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0931]
_cell_length_b [17.5296]
_cell_length_c [12.6873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2PuPdSe5]
_chemical_formula_sum '[La8 Pu4 Pd4 Se20]'
_cell_volume [910.3248]
_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
[
  La  La0  4  0.0000  0.1082  0.3482  1
  La  La1  4  0.0000  0.1235  0.6981  1
  Pu  Pu2  4  0.0000  0.1787  0.0250  1
  Pd  Pd3  4  0.0000  0.4453  0.4219  1
  Se  Se4  4  0.0000  0.0160  0.0241  1
  Se  Se5  4  0.0000  0.3044  0.3608  1
  Se  Se6  4  0.0000  0.3077  0.6867  1
  Se  Se7  4  0.0000  0.3433  0.0191  1
  Se  Se8  4  0.0000  0.4988  0.7401  1
]