data_[Tb8Pu4Cr4N20]
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
  Cr  1.6600  1.4000  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3783]
_cell_length_b [13.6083]
_cell_length_c [10.1167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb2PuCrN5]
_chemical_formula_sum '[Tb8 Pu4 Cr4 N20]'
_cell_volume [465.0970]
_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  0.1077  0.6927  1
  Tb  Tb1  4  0.0000  0.1351  0.3020  1
  Pu  Pu2  4  0.0000  0.2081  0.0092  1
  Cr  Cr3  4  0.0000  0.4883  0.4633  1
  N  N4  4  0.0000  0.0419  0.0365  1
  N  N5  4  0.0000  0.2847  0.6538  1
  N  N6  4  0.0000  0.3163  0.3746  1
  N  N7  4  0.0000  0.3750  0.0054  1
  N  N8  4  0.0000  0.4914  0.7867  1
]