data_[Pu4Sc8Co8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Sc  1.3600  1.6000  0.8850
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6526]
_cell_length_b [5.3703]
_cell_length_c [7.1239]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3440]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pu(ScCo)2]
_chemical_formula_sum '[Pu4 Sc8 Co8]'
_cell_volume [360.7501]
_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
[
  Pu  Pu0  4  0.0000  0.1419  0.2500  1
  Sc  Sc1  8  0.1521  0.3638  0.6513  1
  Co  Co2  8  0.1429  0.1551  0.0060  1
]