data_[Pu2Tl4Ag4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0543]
_cell_length_b [9.0727]
_cell_length_c [8.4720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1818]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PuTl2(AgI3)2]
_chemical_formula_sum '[Pu2 Tl4 Ag4 I12]'
_cell_volume [933.8179]
_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  0.5000  0.5000  1
  Tl  Tl1  4  0.2479  0.5000  0.1901  1
  Ag  Ag2  4  0.0399  0.0000  0.3721  1
  I  I3  8  0.0659  0.2653  0.8136  1
  I  I4  4  0.2474  0.5000  0.6012  1
]