data_[Pu2U2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  U  1.3800  1.7500  0.9913
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7187]
_cell_length_b [4.8556]
_cell_length_c [4.9228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3556]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PuURu2]
_chemical_formula_sum '[Pu2 U2 Ru4]'
_cell_volume [155.8547]
_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
  U  U1  2  0.0000  0.0000  0.5000  1
  Ru  Ru2  4  0.2430  0.0000  0.2905  1
]