data_[Tb8Pu4Ge4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pu  1.2800  1.7500  0.9675
  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 [3.3297]
_cell_length_b [14.0801]
_cell_length_c [10.1381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb2PuGeN5]
_chemical_formula_sum '[Tb8 Pu4 Ge4 N20]'
_cell_volume [475.2963]
_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
[
  Tb  Tb0  4  0.0000  0.1120  0.6981  1
  Tb  Tb1  4  0.0000  0.1269  0.2909  1
  Pu  Pu2  4  0.0000  0.2135  0.0041  1
  Ge  Ge3  4  0.0000  0.4936  0.4717  1
  N  N4  4  0.0000  0.0498  0.0501  1
  N  N5  4  0.0000  0.2872  0.6455  1
  N  N6  4  0.0000  0.3002  0.3657  1
  N  N7  4  0.0000  0.3734  0.0102  1
  N  N8  4  0.0000  0.4985  0.7876  1
]