data_[La2Pu4Tl6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pu  1.2800  1.7500  0.9675
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4634]
_cell_length_b [12.9202]
_cell_length_c [8.0869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9030]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaPu2(TlSe2)3]
_chemical_formula_sum '[La2 Pu4 Tl6 Se12]'
_cell_volume [742.0539]
_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
[
  La  La0  2  0.0000  0.0000  0.0000  1
  Pu  Pu1  4  0.0000  0.3332  0.0000  1
  Tl  Tl2  4  0.0000  0.1660  0.5000  1
  Tl  Tl3  2  0.0000  0.5000  0.5000  1
  Se  Se4  8  0.2411  0.1720  0.2072  1
  Se  Se5  4  0.2242  0.5000  0.2050  1
]