data_[Ce10Pu2Ru10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pu  1.2800  1.7500  0.9675
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3995]
_cell_length_b [5.5457]
_cell_length_c [7.9670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5050]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce5PuRu5]
_chemical_formula_sum '[Ce10 Pu2 Ru10]'
_cell_volume [516.4070]
_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
[
  Ce  Ce0  4  0.1656  0.5000  0.8383  1
  Ce  Ce1  4  0.1724  0.5000  0.3342  1
  Ce  Ce2  2  0.0000  0.0000  0.5000  1
  Pu  Pu3  2  0.0000  0.0000  0.0000  1
  Ru  Ru4  4  0.1448  0.0000  0.8066  1
  Ru  Ru5  4  0.1780  0.0000  0.3294  1
  Ru  Ru6  2  0.0000  0.5000  0.0000  1
]