data_[Pu12In2Au10]
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 [16.8381]
_cell_length_b [4.9377]
_cell_length_c [7.9887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1908]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu6InAu5]
_chemical_formula_sum '[Pu12 In2 Au10]'
_cell_volume [585.4050]
_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  4  0.0051  0.5000  0.2734  1
  Pu  Pu1  4  0.1753  0.0000  0.9179  1
  Pu  Pu2  4  0.1768  0.0000  0.4326  1
  In  In3  2  0.0000  0.0000  0.0000  1
  Au  Au4  4  0.1493  0.5000  0.1420  1
  Au  Au5  4  0.1661  0.5000  0.6720  1
  Au  Au6  2  0.0000  0.0000  0.5000  1
]