data_[Ce8Pu4Sc24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pu  1.2800  1.7500  0.9675
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.2050]
_cell_length_b [19.7087]
_cell_length_c [9.0563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Ce2PuSc6]
_chemical_formula_sum '[Ce8 Pu4 Sc24]'
_cell_volume [929.0254]
_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
[
  Ce  Ce0  8  0.0000  0.0402  0.1221  1
  Pu  Pu1  4  0.0000  0.2500  0.6523  1
  Sc  Sc2  8  0.0000  0.0758  0.6282  1
  Sc  Sc3  8  0.0000  0.1708  0.3443  1
  Sc  Sc4  8  0.0000  0.1714  0.9497  1
]