data_[Na2Pu4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pu  1.2800  1.7500  0.9675
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.8065]
_cell_length_b [8.8065]
_cell_length_c [2.6443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Na(PuGe)2]
_chemical_formula_sum '[Na2 Pu4 Ge4]'
_cell_volume [205.0774]
_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
[
  Na  Na0  2  0.0000  0.0000  0.0000  1
  Pu  Pu1  4  0.0925  0.5925  0.5000  1
  Ge  Ge2  4  0.1969  0.3031  0.0000  1
]