data_[Pu4Cr2Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Cr  1.6600  1.4000  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2222]
_cell_length_b [4.4902]
_cell_length_c [2.7722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3533]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu2CrPd]
_chemical_formula_sum '[Pu4 Cr2 Pd2]'
_cell_volume [125.1724]
_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  4  0.2178  0.0000  0.3494  1
  Cr  Cr1  2  0.0000  0.0000  0.5000  1
  Pd  Pd2  2  0.0000  0.5000  0.0000  1
]