data_[Dy6Pu4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  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 [6.8069]
_cell_length_b [11.7908]
_cell_length_c [6.8306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3693]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Dy3(PuS3)2]
_chemical_formula_sum '[Dy6 Pu4 S12]'
_cell_volume [517.1818]
_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
[
  Dy  Dy0  4  0.0000  0.3363  0.0000  1
  Dy  Dy1  2  0.0000  0.0000  0.0000  1
  Pu  Pu2  4  0.0000  0.1670  0.5000  1
  S  S3  8  0.2459  0.1681  0.2431  1
  S  S4  4  0.2485  0.0000  0.7533  1
]