data_[Pu2B7Ru12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  B  2.0400  0.8500  0.4100
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [8.9990]
_cell_length_b [8.9990]
_cell_length_c [3.7563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [Pu2B7Ru12]
_chemical_formula_sum '[Pu2 B7 Ru12]'
_cell_volume [263.4408]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Pu  Pu1  1  0.6667  0.3333  0.0000  1
  B  B2  3  0.0185  0.2567  0.0000  1
  B  B3  3  0.4322  0.3793  0.5000  1
  B  B4  1  0.3333  0.6667  0.0000  1
  Ru  Ru5  3  0.0600  0.5135  0.0000  1
  Ru  Ru6  3  0.2170  0.7597  0.5000  1
  Ru  Ru7  3  0.2508  0.2312  0.0000  1
  Ru  Ru8  3  0.3857  0.1108  0.5000  1
]