data_[Pu6Cu8Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0650]
_cell_length_b [4.2303]
_cell_length_c [6.5242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4395]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu3(CuSi)4]
_chemical_formula_sum '[Pu6 Cu8 Si8]'
_cell_volume [375.4761]
_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  0.1253  0.0000  0.1215  1
  Pu  Pu1  2  0.0000  0.0000  0.5000  1
  Si  Si2  4  0.0013  0.5000  0.1871  1
  Cu  Cu3  4  0.1676  0.5000  0.8540  1
  Cu  Cu4  4  0.1717  0.5000  0.4783  1
  Si  Si5  4  0.2176  0.0000  0.7213  1
]