data_[Pu2P7Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [9.7909]
_cell_length_b [9.7909]
_cell_length_c [4.0023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Pu2P7Pd12]
_chemical_formula_sum '[Pu2 P7 Pd12]'
_cell_volume [332.2686]
_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
[
  Pu  Pu0  2  0.3333  0.6667  0.7496  1
  P  P1  6  0.1275  0.4197  0.2469  1
  P  P2  1  0.0000  0.0000  0.5000  1
  Pd  Pd3  6  0.0512  0.6181  0.2512  1
  Pd  Pd4  6  0.0948  0.8462  0.7592  1
]