data_[Pu10Sn2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4902]
_cell_length_b [10.9981]
_cell_length_c [6.2485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.9793]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu5SnAu2]
_chemical_formula_sum '[Pu10 Sn2 Au4]'
_cell_volume [386.3398]
_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  0.2500  0.2500  0.5000  1
  Pu  Pu1  2  0.0000  0.0000  0.0000  1
  Pu  Pu2  2  0.0000  0.5000  0.0000  1
  Pu  Pu3  2  0.0000  0.5000  0.5000  1
  Sn  Sn4  2  0.0000  0.0000  0.5000  1
  Au  Au5  4  0.2500  0.2500  0.0000  1
]