data_[Cs6Pu4Au2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pu  1.2800  1.7500  0.9675
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1729]
_cell_length_b [13.6908]
_cell_length_c [8.4794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7047]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Pu2AuSe6]
_chemical_formula_sum '[Cs6 Pu4 Au2 Se12]'
_cell_volume [805.4255]
_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
[
  Cs  Cs0  4  0.0000  0.1470  0.5000  1
  Cs  Cs1  2  0.0000  0.5000  0.5000  1
  Pu  Pu2  4  0.0000  0.3328  0.0000  1
  Au  Au3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.2490  0.3064  0.7999  1
  Se  Se5  4  0.2388  0.5000  0.1553  1
]