data_[Pu4Si4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7756]
_cell_length_b [5.5345]
_cell_length_c [7.9490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1997]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PuSiPd]
_chemical_formula_sum '[Pu4 Si4 Pd4]'
_cell_volume [229.9072]
_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  0.2019  0.1263  0.8722  1
  Si  Si1  4  0.1938  0.6317  0.0286  1
  Pd  Pd2  4  0.4020  0.6078  0.8009  1
]