data_[Rb1Pu6Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [10.5259]
_cell_length_b [10.5259]
_cell_length_c [3.5644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Rb(Pu3Se4)2]
_chemical_formula_sum '[Rb1 Pu6 Se8]'
_cell_volume [342.0050]
_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
[
  Rb  Rb0  1  0.0000  0.0000  0.5000  1
  Pu  Pu1  6  0.0719  0.5826  0.7495  1
  Se  Se2  6  0.1010  0.3354  0.7619  1
  Se  Se3  2  0.3333  0.6667  0.2512  1
]