data_[Cs6Pu4Pa2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pu  1.2800  1.7500  0.9675
  Pa  1.5000  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1996]
_cell_length_b [12.4677]
_cell_length_c [8.4182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5447]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Pu2PaS6]
_chemical_formula_sum '[Cs6 Pu4 Pa2 S12]'
_cell_volume [724.3523]
_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
[
  Cs  Cs0  4  0.0000  0.1691  0.5000  1
  Cs  Cs1  2  0.0000  0.5000  0.5000  1
  Pu  Pu2  4  0.0000  0.3335  0.0000  1
  Pa  Pa3  2  0.0000  0.0000  0.0000  1
  S  S4  8  0.2217  0.1615  0.1808  1
  S  S5  4  0.2378  0.5000  0.1818  1
]