data_[Pu4Pa8Ge4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Pa  1.5000  1.8000  1.0400
  Ge  2.0100  1.2500  0.7700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.5203]
_cell_length_b [13.5065]
_cell_length_c [11.0896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [PuPa2GeN5]
_chemical_formula_sum '[Pu4 Pa8 Ge4 N20]'
_cell_volume [527.2804]
_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  0.0000  0.1953  0.9777  1
  Pa  Pa1  4  0.0000  0.1284  0.2556  1
  Pa  Pa2  4  0.0000  0.1414  0.6897  1
  Ge  Ge3  4  0.0000  0.4933  0.9931  1
  N  N4  4  0.0000  0.0287  0.0728  1
  N  N5  4  0.0000  0.2923  0.3147  1
  N  N6  4  0.0000  0.3011  0.6424  1
  N  N7  4  0.0000  0.3601  0.0560  1
  N  N8  4  0.0000  0.4685  0.8220  1
]