data_[Rb6Y2Pu4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Y  1.2200  1.8000  1.0400
  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 [7.1446]
_cell_length_b [12.3751]
_cell_length_c [8.0247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2631]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Y(PuS3)2]
_chemical_formula_sum '[Rb6 Y2 Pu4 S12]'
_cell_volume [677.5473]
_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  0.1666  0.5000  1
  Rb  Rb1  2  0.0000  0.5000  0.5000  1
  Y  Y2  2  0.0000  0.0000  0.0000  1
  Pu  Pu3  4  0.0000  0.3333  0.0000  1
  S  S4  8  0.2299  0.1661  0.1912  1
  S  S5  4  0.2314  0.5000  0.1912  1
]