data_[Pu4Th6Pa2N12]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1910]
_cell_length_b [10.7201]
_cell_length_c [6.2104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3787]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu2Th3PaN6]
_chemical_formula_sum '[Pu4 Th6 Pa2 N12]'
_cell_volume [388.8226]
_cell_formula_units_Z [2]
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  0.3334  0.0000  1
  Th  Th1  4  0.0000  0.1684  0.5000  1
  Th  Th2  2  0.0000  0.5000  0.5000  1
  Pa  Pa3  2  0.0000  0.0000  0.0000  1
  N  N4  8  0.2396  0.1622  0.2322  1
  N  N5  4  0.2458  0.0000  0.7659  1
]