data_[Na6Pu4Au2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pu  1.2800  1.7500  0.9675
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8925]
_cell_length_b [11.6130]
_cell_length_c [7.0908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4442]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Pu2AuS6]
_chemical_formula_sum '[Na6 Pu4 Au2 S12]'
_cell_volume [535.1973]
_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
[
  Na  Na0  4  0.0000  0.1602  0.5000  1
  Na  Na1  2  0.0000  0.5000  0.5000  1
  Pu  Pu2  4  0.0000  0.3319  0.0000  1
  Au  Au3  2  0.0000  0.0000  0.0000  1
  S  S4  8  0.2471  0.1693  0.2242  1
  S  S5  4  0.2228  0.5000  0.2333  1
]