data_[Nd8Pu4Tc4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Pu  1.2800  1.7500  0.9675
  Tc  1.9000  1.3500  0.7417
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.4799]
_cell_length_b [13.8459]
_cell_length_c [10.4829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2PuTcN5]
_chemical_formula_sum '[Nd8 Pu4 Tc4 N20]'
_cell_volume [505.0926]
_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
[
  Nd  Nd0  4  0.0000  0.1089  0.6875  1
  Nd  Nd1  4  0.0000  0.1413  0.3079  1
  Pu  Pu2  4  0.0000  0.2070  0.0126  1
  Tc  Tc3  4  0.0000  0.4778  0.4583  1
  N  N4  4  0.0000  0.0402  0.0376  1
  N  N5  4  0.0000  0.2834  0.6514  1
  N  N6  4  0.0000  0.3229  0.3828  1
  N  N7  4  0.0000  0.3684  0.0016  1
  N  N8  4  0.0000  0.4892  0.7844  1
]