data_[Rb6Pu2Th4Se12]
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
  Th  1.3000  1.8000  1.0800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4904]
_cell_length_b [12.9716]
_cell_length_c [8.4514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1817]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Pu(ThSe3)2]
_chemical_formula_sum '[Rb6 Pu2 Th4 Se12]'
_cell_volume [784.5119]
_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  0.1652  0.5000  1
  Rb  Rb1  2  0.0000  0.5000  0.5000  1
  Pu  Pu2  2  0.0000  0.0000  0.0000  1
  Th  Th3  4  0.0000  0.3332  0.0000  1
  Se  Se4  8  0.2363  0.1688  0.2025  1
  Se  Se5  4  0.2297  0.5000  0.2020  1
]