data_[Pu8U4Ni4S20]
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
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7652]
_cell_length_b [16.1095]
_cell_length_c [11.8117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pu2UNiS5]
_chemical_formula_sum '[Pu8 U4 Ni4 S20]'
_cell_volume [716.4469]
_cell_formula_units_Z [4]
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  4  0.0000  0.1127  0.3499  1
  Pu  Pu1  4  0.0000  0.1163  0.6976  1
  U  U2  4  0.0000  0.1822  0.0254  1
  Ni  Ni3  4  0.0000  0.4448  0.4175  1
  S  S4  4  0.0000  0.0197  0.0116  1
  S  S5  4  0.0000  0.3042  0.6882  1
  S  S6  4  0.0000  0.3123  0.3616  1
  S  S7  4  0.0000  0.3468  0.0210  1
  S  S8  4  0.0000  0.4943  0.7511  1
]