data_[Rb4Pu4Ta2Se12]
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
  Ta  1.5000  1.4500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0718]
_cell_length_b [12.1125]
_cell_length_c [8.5559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7088]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Pu2TaSe6]
_chemical_formula_sum '[Rb4 Pu4 Ta2 Se12]'
_cell_volume [701.9303]
_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  4  0.0000  0.1723  0.0000  1
  Pu  Pu1  4  0.0000  0.3329  0.5000  1
  Ta  Ta2  2  0.0000  0.0000  0.5000  1
  Se  Se3  8  0.2212  0.1529  0.6900  1
  Se  Se4  4  0.2404  0.0000  0.3115  1
]