data_[Pu4Zr4Pa16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Zr  1.3300  1.5500  0.8600
  Pa  1.5000  1.8000  1.0400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4614]
_cell_length_b [12.3221]
_cell_length_c [5.8367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0745]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PuZrPa4]
_chemical_formula_sum '[Pu4 Zr4 Pa16]'
_cell_volume [592.7647]
_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  4  0.0000  0.2839  0.0000  1
  Zr  Zr1  4  0.1440  0.0000  0.4031  1
  Pa  Pa2  8  0.1952  0.1284  0.9287  1
  Pa  Pa3  4  0.0000  0.2808  0.5000  1
  Pa  Pa4  4  0.0072  0.5000  0.2563  1
]