data_[Pu5Tl1In4]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1065]
_cell_length_b [4.1065]
_cell_length_c [15.2546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Pu5TlIn4]
_chemical_formula_sum '[Pu5 Tl1 In4]'
_cell_volume [257.2374]
_cell_formula_units_Z [1]
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  0.5000  0.5000  0.1145  1
  Pu  Pu1  2  0.5000  0.5000  0.2703  1
  Pu  Pu2  1  0.5000  0.5000  0.5000  1
  Tl  Tl3  1  0.0000  0.0000  0.0000  1
  In  In4  2  0.0000  0.0000  0.1943  1
  In  In5  2  0.0000  0.0000  0.3906  1
]