data_[Pu4Ga8Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.4454]
_cell_length_b [4.4678]
_cell_length_c [10.1892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [PuGa2Cu]
_chemical_formula_sum '[Pu4 Ga8 Cu4]'
_cell_volume [293.4157]
_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  0.2364  0.7500  0.8418  1
  Ga  Ga1  4  0.0733  0.7500  0.1528  1
  Ga  Ga2  4  0.2402  0.2500  0.0448  1
  Cu  Cu3  4  0.0462  0.2500  0.6110  1
]