data_[Ce4Pu2Sc2]
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 [Amm2]
_cell_length_a [5.1965]
_cell_length_b [3.2579]
_cell_length_c [12.1951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ce2PuSc]
_chemical_formula_sum '[Ce4 Pu2 Sc2]'
_cell_volume [206.4630]
_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
[
  Ce  Ce0  2  0.0000  0.0000  0.0217  1
  Ce  Ce1  2  0.5000  0.0000  0.3591  1
  Pu  Pu2  2  0.5000  0.0000  0.1276  1
  Sc  Sc3  2  0.0000  0.0000  0.7537  1
]