data_[Pu4Hf4In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Hf  1.3000  1.5500  0.8500
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.6259]
_cell_length_b [5.6500]
_cell_length_c [4.5323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2091]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PuHfIn]
_chemical_formula_sum '[Pu4 Hf4 In4]'
_cell_volume [265.9468]
_cell_formula_units_Z [4]
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  0.0046  0.1950  0.4260  1
  Hf  Hf1  4  0.2232  0.5176  0.6123  1
  In  In2  4  0.4080  0.0176  0.7042  1
]