data_[Pu3Th6Pa3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Th  1.3000  1.8000  1.0800
  Pa  1.5000  1.8000  1.0400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.4264]
_cell_length_b [3.4264]
_cell_length_c [34.0495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [PuTh2Pa]
_chemical_formula_sum '[Pu3 Th6 Pa3]'
_cell_volume [346.1924]
_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
[
  Pu  Pu0  3  0.0000  0.0000  0.6682  1
  Th  Th1  3  0.0000  0.0000  0.0831  1
  Th  Th2  3  0.0000  0.0000  0.2495  1
  Pa  Pa3  3  0.0000  0.0000  0.4992  1
]