data_[Pu4In4Au12]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.4312]
_cell_length_b [4.8935]
_cell_length_c [9.5762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [PuInAu3]
_chemical_formula_sum '[Pu4 In4 Au12]'
_cell_volume [441.9585]
_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  0.2280  0.2500  0.0095  1
  In  In1  4  0.0851  0.2500  0.3535  1
  Au  Au2  4  0.0893  0.7500  0.1446  1
  Au  Au3  4  0.1071  0.2500  0.6443  1
  Au  Au4  4  0.1184  0.7500  0.8456  1
]