data_[Y6Pu4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [10.8093]
_cell_length_b [4.2059]
_cell_length_c [8.9070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6633]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3(PuRu2)2]
_chemical_formula_sum '[Y6 Pu4 Ru8]'
_cell_volume [397.9449]
_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
[
  Y  Y0  4  0.1260  0.5000  0.3886  1
  Y  Y1  2  0.0000  0.0000  0.0000  1
  Pu  Pu2  4  0.1710  0.5000  0.7841  1
  Ru  Ru3  4  0.0883  0.0000  0.6282  1
  Ru  Ru4  4  0.2154  0.5000  0.0943  1
]