data_[Ce12Pu2Ru4]
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 [P2_1/c]
_cell_length_a [6.4127]
_cell_length_b [7.1289]
_cell_length_c [11.6063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.1557]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ce6PuRu2]
_chemical_formula_sum '[Ce12 Pu2 Ru4]'
_cell_volume [454.0592]
_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  0.1147  0.6564  0.9421  1
  Ce  Ce1  4  0.2643  0.1965  0.9196  1
  Ce  Ce2  4  0.4252  0.5349  0.7643  1
  Pu  Pu3  2  0.5000  0.0000  0.5000  1
  Ru  Ru4  4  0.2687  0.6041  0.2913  1
]