data_[Pu12Tl6Rh2]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3699]
_cell_length_b [6.3135]
_cell_length_c [9.4907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9437]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu6Tl3Rh]
_chemical_formula_sum '[Pu12 Tl6 Rh2]'
_cell_volume [558.4590]
_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  8  0.1038  0.2541  0.7907  1
  Pu  Pu1  4  0.2225  0.0000  0.4241  1
  Tl  Tl2  4  0.1400  0.5000  0.1737  1
  Tl  Tl3  2  0.0000  0.0000  0.0000  1
  Rh  Rh4  2  0.0000  0.5000  0.5000  1
]