data_[Tb8Pu4As4N20]
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
  As  2.1800  1.1500  0.6600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3371]
_cell_length_b [15.3211]
_cell_length_c [9.6804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb2PuAsN5]
_chemical_formula_sum '[Tb8 Pu4 As4 N20]'
_cell_volume [494.9346]
_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  0.1059  0.6776  1
  Tb  Tb1  4  0.0000  0.1165  0.3112  1
  Pu  Pu2  4  0.0000  0.2154  0.0176  1
  As  As3  4  0.0000  0.4499  0.4469  1
  N  N4  4  0.0000  0.0437  0.0496  1
  N  N5  4  0.0000  0.2915  0.6699  1
  N  N6  4  0.0000  0.3378  0.3658  1
  N  N7  4  0.0000  0.3573  0.0034  1
  N  N8  4  0.0000  0.4952  0.7820  1
]