data_[Pu8Hg4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.4036]
_cell_length_b [10.3537]
_cell_length_c [5.5776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pu2HgPd3]
_chemical_formula_sum '[Pu8 Hg4 Pd12]'
_cell_volume [485.2895]
_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  8  0.1701  0.2433  0.2500  1
  Hg  Hg1  4  0.0000  0.0574  0.7500  1
  Pd  Pd2  8  0.1848  0.5000  0.0000  1
  Pd  Pd3  4  0.0000  0.3231  0.7500  1
]