data_[Pu2Al22Tc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Al  1.6100  1.2500  0.6750
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.2650]
_cell_length_b [12.7256]
_cell_length_c [7.0531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0488]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PuAl11Tc]
_chemical_formula_sum '[Pu2 Al22 Tc2]'
_cell_volume [441.0310]
_cell_formula_units_Z [2]
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
[
  Pu  Pu0  2  0.0000  0.0000  0.0000  1
  Al  Al1  8  0.1062  0.3932  0.2196  1
  Al  Al2  8  0.1933  0.1727  0.3586  1
  Al  Al3  4  0.2500  0.2500  0.0000  1
  Al  Al4  2  0.0000  0.0000  0.5000  1
  Tc  Tc5  2  0.0000  0.5000  0.5000  1
]