data_[Rb8Pu4Al4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Pu  1.2800  1.7500  0.9675
  Al  1.6100  1.2500  0.6750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.4461]
_cell_length_b [8.9586]
_cell_length_c [12.3549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Rb2PuAlSe4]
_chemical_formula_sum '[Rb8 Pu4 Al4 Se16]'
_cell_volume [934.8367]
_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
[
  Rb  Rb0  4  0.0000  0.0000  0.5000  1
  Rb  Rb1  4  0.2500  0.2500  0.7500  1
  Pu  Pu2  4  0.0000  0.0000  0.0000  1
  Al  Al3  4  0.2500  0.2500  0.2500  1
  Se  Se4  8  0.0000  0.0550  0.2378  1
  Se  Se5  8  0.2209  0.2500  0.0308  1
]