data_[Pu5Ru1Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Ru  2.2000  1.3000  0.6610
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.0025]
_cell_length_b [4.8395]
_cell_length_c [7.2245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3311]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pu5RuAu]
_chemical_formula_sum '[Pu5 Ru1 Au1]'
_cell_volume [172.5870]
_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  0.0295  0.5000  0.7769  1
  Pu  Pu1  2  0.4138  0.0000  0.2021  1
  Pu  Pu2  1  0.5000  0.5000  0.5000  1
  Ru  Ru3  1  0.5000  0.5000  0.0000  1
  Au  Au4  1  0.0000  0.0000  0.5000  1
]