data_[Pu3Tl6Ga3Cl18]
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
  Ga  1.8100  1.3000  0.7600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.7599]
_cell_length_b [7.7599]
_cell_length_c [19.4295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [PuTl2GaCl6]
_chemical_formula_sum '[Pu3 Tl6 Ga3 Cl18]'
_cell_volume [1013.2297]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3204  1
  Tl  Tl1  3  0.0000  0.0000  0.0292  1
  Tl  Tl2  3  0.0000  0.0000  0.5366  1
  Ga  Ga3  3  0.0000  0.0000  0.8142  1
  Cl  Cl4  9  0.0341  0.6151  0.0738  1
  Cl  Cl5  9  0.0750  0.3419  0.9131  1
]