data_[Pu4Zn4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Zn  1.6500  1.3500  0.8800
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9280]
_cell_length_b [4.6083]
_cell_length_c [5.2847]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.0776]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PuZnRu]
_chemical_formula_sum '[Pu4 Zn4 Ru4]'
_cell_volume [217.1675]
_cell_formula_units_Z [4]
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  0.1798  0.0000  0.5963  1
  Zn  Zn1  4  0.0377  0.5000  0.7918  1
  Ru  Ru2  4  0.1538  0.0000  0.0604  1
]