data_[Pu2Tl4Sb4Au2]
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
  Sb  2.0500  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.6363]
_cell_length_b [10.5856]
_cell_length_c [7.1929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [PuTl2Sb2Au]
_chemical_formula_sum '[Pu2 Tl4 Sb4 Au2]'
_cell_volume [353.0132]
_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  0.4806  0.0056  1
  Tl  Tl1  2  0.0000  0.1584  0.7944  1
  Tl  Tl2  2  0.5000  0.0643  0.4590  1
  Sb  Sb3  2  0.0000  0.2258  0.2319  1
  Sb  Sb4  2  0.5000  0.3764  0.7313  1
  Au  Au5  2  0.5000  0.3590  0.3235  1
]