data_[Pu5In1]
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
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [5.5722]
_cell_length_b [5.5722]
_cell_length_c [17.7758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Pu5In]
_chemical_formula_sum '[Pu5 In1]'
_cell_volume [477.9895]
_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  3  0.0000  0.3301  0.4235  1
  Pu  Pu1  2  0.3333  0.6667  0.5749  1
  In  In2  1  0.0000  0.0000  0.5797  1
]