data_[Pu6Ga8Cu8]
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 [Immm]
_cell_length_a [4.4037]
_cell_length_b [6.7155]
_cell_length_c [13.7097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pu3(GaCu)4]
_chemical_formula_sum '[Pu6 Ga8 Cu8]'
_cell_volume [405.4419]
_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  0.0000  0.0000  0.1254  1
  Pu  Pu1  2  0.0000  0.5000  0.0000  1
  Ga  Ga2  4  0.0000  0.3080  0.5000  1
  Ga  Ga3  4  0.0000  0.5000  0.2206  1
  Cu  Cu4  8  0.0000  0.1860  0.3279  1
]