data_[Pu2In8Fe1]
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
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6487]
_cell_length_b [4.6487]
_cell_length_c [12.2572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Pu2In8Fe]
_chemical_formula_sum '[Pu2 In8 Fe1]'
_cell_volume [264.8882]
_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  0.0000  0.0000  0.3076  1
  In  In1  4  0.0000  0.5000  0.1215  1
  In  In2  2  0.0000  0.5000  0.5000  1
  In  In3  2  0.5000  0.5000  0.3105  1
  Fe  Fe4  1  0.0000  0.0000  0.0000  1
]