data_[Pu2Al4Cu2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7338]
_cell_length_b [6.3880]
_cell_length_c [6.0154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3636]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PuAl2CuO8]
_chemical_formula_sum '[Pu2 Al4 Cu2 O16]'
_cell_volume [257.6219]
_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  2  0.0000  0.0000  0.0000  1
  Al  Al1  4  0.0186  0.5000  0.2650  1
  Cu  Cu2  2  0.0000  0.0000  0.5000  1
  O  O3  4  0.0000  0.3088  0.5000  1
  O  O4  4  0.0000  0.3176  0.0000  1
  O  O5  4  0.1966  0.0000  0.7387  1
  O  O6  4  0.2197  0.0000  0.2189  1
]