data_[Rb2Pu2Cu2Se6]
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
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3576]
_cell_length_b [4.1485]
_cell_length_c [9.7717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0894]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbPuCuSe3]
_chemical_formula_sum '[Rb2 Pu2 Cu2 Se6]'
_cell_volume [356.2531]
_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  0.2069  0.7500  0.2460  1
  Pu  Pu1  2  0.3210  0.2500  0.8436  1
  Cu  Cu2  2  0.0806  0.7500  0.5944  1
  Se  Se3  2  0.1206  0.7500  0.8574  1
  Se  Se4  2  0.1986  0.2500  0.5377  1
  Se  Se5  2  0.4670  0.2500  0.1537  1
]