data_[Pu2Ag10S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [8.7076]
_cell_length_b [8.8183]
_cell_length_c [5.9367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [PuAg5S4]
_chemical_formula_sum '[Pu2 Ag10 S8]'
_cell_volume [455.8557]
_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
[
  Pu  Pu0  2  0.0000  0.0000  0.7618  1
  Ag  Ag1  8  0.1796  0.1789  0.2220  1
  Ag  Ag2  2  0.0000  0.5000  0.2445  1
  S  S3  4  0.0000  0.2819  0.9335  1
  S  S4  4  0.2436  0.5000  0.4795  1
]