data_[Tb1Y6Pu1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Pu  1.2800  1.7500  0.9675
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1462]
_cell_length_b [6.1537]
_cell_length_c [7.0691]
_cell_angle_alpha [90.2620]
_cell_angle_beta [106.4465]
_cell_angle_gamma [99.5038]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TbY6Pu]
_chemical_formula_sum '[Tb1 Y6 Pu1]'
_cell_volume [252.5358]
_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  0.0000  0.0000  0.5000  1
  Y  Y1  2  0.0004  0.4993  0.7536  1
  Y  Y2  2  0.4914  0.2474  0.3714  1
  Y  Y3  2  0.4960  0.2428  0.8757  1
  Pu  Pu4  1  0.0000  0.0000  0.0000  1
]