data_[K6Dy2Pu6S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [14.0262]
_cell_length_b [8.0900]
_cell_length_c [7.6597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2939]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3DyPu3S8]
_chemical_formula_sum '[K6 Dy2 Pu6 S16]'
_cell_volume [869.1479]
_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
[
  K  K0  4  0.2500  0.2500  0.0000  1
  K  K1  2  0.0000  0.0000  0.0000  1
  Dy  Dy2  2  0.0000  0.0000  0.5000  1
  Pu  Pu3  4  0.2500  0.2500  0.5000  1
  Pu  Pu4  2  0.0000  0.5000  0.5000  1
  S  S5  8  0.0845  0.2470  0.6913  1
  S  S6  4  0.1667  0.0000  0.3024  1
  S  S7  4  0.1700  0.5000  0.3107  1
]