data_[Pu8Zn12Ga20]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.8010]
_cell_length_b [11.8437]
_cell_length_c [5.9135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pu2Zn3Ga5]
_chemical_formula_sum '[Pu8 Zn12 Ga20]'
_cell_volume [756.4774]
_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  8  0.2467  0.3736  0.0000  1
  Zn  Zn1  8  0.1328  0.3733  0.5000  1
  Zn  Zn2  4  0.0000  0.0000  0.2500  1
  Ga  Ga3  8  0.0000  0.2448  0.2500  1
  Ga  Ga4  8  0.1434  0.1200  0.0000  1
  Ga  Ga5  4  0.0000  0.5000  0.2500  1
]