data_[Rb4Pu4Hf2S12]
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
  Hf  1.3000  1.5500  0.8500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8965]
_cell_length_b [11.8401]
_cell_length_c [8.1744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5306]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Pu2HfS6]
_chemical_formula_sum '[Rb4 Pu4 Hf2 S12]'
_cell_volume [639.8900]
_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  0.1694  0.0000  1
  Pu  Pu1  4  0.0000  0.3338  0.5000  1
  Hf  Hf2  2  0.0000  0.0000  0.5000  1
  S  S3  8  0.2192  0.1571  0.6837  1
  S  S4  4  0.2488  0.0000  0.3166  1
]