data_[Pu2Al1In1Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3047]
_cell_length_b [6.2354]
_cell_length_c [7.1491]
_cell_angle_alpha [68.0757]
_cell_angle_beta [76.4888]
_cell_angle_gamma [83.2541]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pu2AlInAu6]
_chemical_formula_sum '[Pu2 Al1 In1 Au6]'
_cell_volume [213.1770]
_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  0.1014  0.4492  0.2215  1
  Al  Al1  1  0.0000  0.0000  0.0000  1
  In  In2  1  0.5000  0.5000  0.5000  1
  Au  Au3  2  0.1424  0.8890  0.3562  1
  Au  Au4  2  0.3556  0.8555  0.7241  1
  Au  Au5  2  0.4030  0.2431  0.9237  1
]