data_[Ca4Pu4Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pu  1.2800  1.7500  0.9675
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.5237]
_cell_length_b [26.9055]
_cell_length_c [3.4636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ca2Pu2Pd3]
_chemical_formula_sum '[Ca4 Pu4 Pd6]'
_cell_volume [328.3762]
_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
[
  Ca  Ca0  4  0.0000  0.4347  0.5000  1
  Pu  Pu1  4  0.0000  0.3016  0.5000  1
  Pd  Pd2  4  0.0000  0.1359  0.0000  1
  Pd  Pd3  2  0.0000  0.0000  0.0000  1
]