data_[Pu8Ga8Cu4]
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 [C2/m]
_cell_length_a [11.0996]
_cell_length_b [3.4676]
_cell_length_c [10.9496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0516]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu2Ga2Cu]
_chemical_formula_sum '[Pu8 Ga8 Cu4]'
_cell_volume [375.3298]
_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  0.0813  0.0000  0.8481  1
  Pu  Pu1  4  0.1432  0.5000  0.7209  1
  Ga  Ga2  4  0.1074  0.0000  0.4688  1
  Ga  Ga3  4  0.1233  0.5000  0.0939  1
  Cu  Cu4  4  0.1599  0.5000  0.3357  1
]