data_[Pu2In10Au8]
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 [C2/m]
_cell_length_a [14.6560]
_cell_length_b [4.7399]
_cell_length_c [7.0959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2983]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PuIn5Au4]
_chemical_formula_sum '[Pu2 In10 Au8]'
_cell_volume [492.5389]
_cell_formula_units_Z [2]
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  0.5000  0.0000  1
  In  In1  4  0.1678  0.0000  0.9915  1
  In  In2  4  0.1779  0.0000  0.5193  1
  In  In3  2  0.0000  0.5000  0.5000  1
  Au  Au4  4  0.0267  0.0000  0.2661  1
  Au  Au5  4  0.1734  0.5000  0.7567  1
]