data_[Ce1Pu4Pd5]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6042]
_cell_length_b [3.6042]
_cell_length_c [16.9586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [CePu4Pd5]
_chemical_formula_sum '[Ce1 Pu4 Pd5]'
_cell_volume [220.2991]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Pu  Pu1  2  0.0000  0.0000  0.2022  1
  Pu  Pu2  2  0.0000  0.0000  0.4009  1
  Pd  Pd3  2  0.5000  0.5000  0.0999  1
  Pd  Pd4  2  0.5000  0.5000  0.3015  1
  Pd  Pd5  1  0.5000  0.5000  0.5000  1
]