data_[Rb6Pu4Fe2S12]
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
  Fe  1.8300  1.4000  0.8525
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7746]
_cell_length_b [11.7380]
_cell_length_c [7.9735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5853]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Pu2FeS6]
_chemical_formula_sum '[Rb6 Pu4 Fe2 S12]'
_cell_volume [607.6704]
_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  0.1712  0.5000  1
  Rb  Rb1  2  0.0000  0.5000  0.5000  1
  Pu  Pu2  4  0.0000  0.3337  0.0000  1
  Fe  Fe3  2  0.0000  0.0000  0.0000  1
  S  S4  8  0.2105  0.1503  0.1800  1
  S  S5  4  0.2396  0.0000  0.8180  1
]