data_[Pu12Ga12Ge8]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4382]
_cell_length_b [10.6357]
_cell_length_c [14.5251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pu3Ga3Ge2]
_chemical_formula_sum '[Pu12 Ga12 Ge8]'
_cell_volume [685.6373]
_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  8  0.0000  0.0656  0.6079  1
  Pu  Pu1  4  0.0000  0.3293  0.7500  1
  Ga  Ga2  8  0.0000  0.3777  0.5400  1
  Ga  Ga3  4  0.0000  0.3889  0.2500  1
  Ge  Ge4  8  0.0000  0.2277  0.1082  1
]