data_[Rb2Pu6Se12]
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 [P2_1/m]
_cell_length_a [12.4353]
_cell_length_b [4.2276]
_cell_length_c [12.7956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8606]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Rb(PuSe2)3]
_chemical_formula_sum '[Rb2 Pu6 Se12]'
_cell_volume [643.7752]
_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
[
  Rb  Rb0  2  0.3654  0.7500  0.0884  1
  Pu  Pu1  2  0.0352  0.7500  0.1509  1
  Pu  Pu2  2  0.2600  0.7500  0.7122  1
  Pu  Pu3  2  0.3470  0.2500  0.4557  1
  Se  Se4  2  0.0472  0.7500  0.7493  1
  Se  Se5  2  0.1293  0.2500  0.0551  1
  Se  Se6  2  0.1791  0.2500  0.5636  1
  Se  Se7  2  0.2545  0.7500  0.3113  1
  Se  Se8  2  0.3472  0.2500  0.8567  1
  Se  Se9  2  0.4485  0.7500  0.6076  1
]