data_[Tb1Pu1Al6]
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
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.4577]
_cell_length_b [5.9907]
_cell_length_c [5.9536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [TbPuAl6]
_chemical_formula_sum '[Tb1 Pu1 Al6]'
_cell_volume [158.9895]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.6133  1
  Pu  Pu1  1  0.0000  0.0000  0.3855  1
  Al  Al2  2  0.0000  0.2389  0.8643  1
  Al  Al3  2  0.5000  0.2504  0.1421  1
  Al  Al4  1  0.0000  0.5000  0.2519  1
  Al  Al5  1  0.5000  0.0000  0.7365  1
]