data_[Rb2Pu2Ag2Se2S4]
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
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6321]
_cell_length_b [4.1175]
_cell_length_c [10.0496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1054]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbPuAgSeS2]
_chemical_formula_sum '[Rb2 Pu2 Ag2 Se2 S4]'
_cell_volume [337.5119]
_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  2  0.2726  0.7500  0.7451  1
  Pu  Pu1  2  0.1792  0.2500  0.1465  1
  Ag  Ag2  2  0.4258  0.7500  0.3990  1
  Se  Se3  2  0.2452  0.2500  0.4421  1
  S  S4  2  0.0340  0.2500  0.8657  1
  S  S5  2  0.3803  0.7500  0.1363  1
]