data_[Pu4Nb2B4Ru10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Nb  1.6000  1.4500  0.8200
  B  2.0400  0.8500  0.4100
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.7662]
_cell_length_b [9.7662]
_cell_length_c [3.0924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Pu2NbB2Ru5]
_chemical_formula_sum '[Pu4 Nb2 B4 Ru10]'
_cell_volume [294.9479]
_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
[
  Pu  Pu0  4  0.1773  0.3227  0.0000  1
  Nb  Nb1  2  0.0000  0.0000  0.0000  1
  B  B2  4  0.1196  0.6196  0.0000  1
  Ru  Ru3  8  0.0696  0.7792  0.5000  1
  Ru  Ru4  2  0.0000  0.5000  0.5000  1
]