data_[Pu4In2Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0741]
_cell_length_b [4.0741]
_cell_length_c [18.0958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Pu2InPd4]
_chemical_formula_sum '[Pu4 In2 Pd8]'
_cell_volume [300.3610]
_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  4  0.0000  0.0000  0.3819  1
  In  In1  2  0.0000  0.0000  0.0000  1
  Pd  Pd2  4  0.0000  0.0000  0.1468  1
  Pd  Pd3  4  0.0000  0.5000  0.2500  1
]