data_[La6Pu4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [11.3850]
_cell_length_b [4.2582]
_cell_length_c [9.0588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0811]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3(PuRu2)2]
_chemical_formula_sum '[La6 Pu4 Ru8]'
_cell_volume [429.4457]
_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
[
  La  La0  4  0.1235  0.5000  0.3856  1
  La  La1  2  0.0000  0.0000  0.0000  1
  Pu  Pu2  4  0.1741  0.5000  0.7842  1
  Ru  Ru3  4  0.0872  0.0000  0.6353  1
  Ru  Ru4  4  0.2188  0.5000  0.0927  1
]