data_[Pu9Ga21Tc6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Ga  1.8100  1.3000  0.7600
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4179]
_cell_length_b [5.4179]
_cell_length_c [26.4889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pu3Ga7Tc2]
_chemical_formula_sum '[Pu9 Ga21 Tc6]'
_cell_volume [673.3652]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1482  1
  Pu  Pu1  3  0.0000  0.0000  0.0000  1
  Ga  Ga2  18  0.0051  0.5026  0.9207  1
  Ga  Ga3  3  -0.0000  -0.0000  0.5000  1
  Tc  Tc4  6  0.0000  0.0000  0.3348  1
]