data_[Pu2U8S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  U  1.3800  1.7500  0.9913
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1906]
_cell_length_b [3.7993]
_cell_length_c [9.5428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.3913]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PuU4S5]
_chemical_formula_sum '[Pu2 U8 S10]'
_cell_volume [412.5280]
_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
[
  Pu  Pu0  2  0.0000  0.0000  0.0000  1
  U  U1  4  0.1016  0.5000  0.4017  1
  U  U2  4  0.2014  0.0000  0.8019  1
  S  S3  4  0.0993  0.5000  0.8983  1
  S  S4  4  0.1997  0.0000  0.2995  1
  S  S5  2  0.0000  0.0000  0.5000  1
]