data_[Ce2Pu10Ru12]
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 [Cmmm]
_cell_length_a [4.7740]
_cell_length_b [13.9132]
_cell_length_c [7.0318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [CePu5Ru6]
_chemical_formula_sum '[Ce2 Pu10 Ru12]'
_cell_volume [467.0582]
_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  2  0.0000  0.0000  0.0000  1
  Pu  Pu1  4  0.0000  0.3298  0.5000  1
  Pu  Pu2  4  0.0000  0.3388  0.0000  1
  Pu  Pu3  2  0.0000  0.0000  0.5000  1
  Ru  Ru4  8  0.0000  0.1694  0.2335  1
  Ru  Ru5  4  0.0000  0.5000  0.2744  1
]