data_[Pu8Np4Ni4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Np  1.3600  1.7500  1.0000
  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 [3.7996]
_cell_length_b [16.1943]
_cell_length_c [11.6508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pu2NpNiS5]
_chemical_formula_sum '[Pu8 Np4 Ni4 S20]'
_cell_volume [716.8954]
_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  0.1091  0.3491  1
  Pu  Pu1  4  0.0000  0.1161  0.6957  1
  Np  Np2  4  0.0000  0.1830  0.0258  1
  Ni  Ni3  4  0.0000  0.4470  0.4193  1
  S  S4  4  0.0000  0.0187  0.0127  1
  S  S5  4  0.0000  0.3034  0.6902  1
  S  S6  4  0.0000  0.3149  0.3610  1
  S  S7  4  0.0000  0.3480  0.0206  1
  S  S8  4  0.0000  0.4952  0.7496  1
]