data_[Pr3Pu6Zn27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pu  1.2800  1.7500  0.9675
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4132]
_cell_length_b [5.4132]
_cell_length_c [26.4581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [PrPu2Zn9]
_chemical_formula_sum '[Pr3 Pu6 Zn27]'
_cell_volume [671.4162]
_cell_formula_units_Z [3]
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
[
  Pr  Pr0  3  0.0000  0.0000  0.0000  1
  Pu  Pu1  6  0.0000  0.0000  0.1486  1
  Zn  Zn2  18  0.0035  0.5018  0.9179  1
  Zn  Zn3  6  0.0000  0.0000  0.3355  1
  Zn  Zn4  3  -0.0000  -0.0000  0.5000  1
]