data_[Pu2Tl4Ag2Sb4]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.7674]
_cell_length_b [10.3998]
_cell_length_c [7.1477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [PuTl2AgSb2]
_chemical_formula_sum '[Pu2 Tl4 Ag2 Sb4]'
_cell_volume [354.3845]
_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  0.4841  0.0056  1
  Tl  Tl1  2  0.0000  0.1612  0.7887  1
  Tl  Tl2  2  0.5000  0.0590  0.4575  1
  Ag  Ag3  2  0.5000  0.3486  0.3241  1
  Sb  Sb4  2  0.0000  0.2244  0.2341  1
  Sb  Sb5  2  0.5000  0.3821  0.7357  1
]