data_[Rb4Pu4S16]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2350]
_cell_length_b [7.3813]
_cell_length_c [7.3109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3759]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbPuS4]
_chemical_formula_sum '[Rb4 Pu4 S16]'
_cell_volume [764.7984]
_cell_formula_units_Z [4]
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  0.1925  0.0000  0.1800  1
  Pu  Pu1  4  0.0392  0.5000  0.2614  1
  S  S2  8  0.0717  0.2557  0.5354  1
  S  S3  4  0.0000  0.2686  0.0000  1
  S  S4  4  0.2106  0.5000  0.2378  1
]