data_[Ce4Pu2Th6N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pu  1.2800  1.7500  0.9675
  Th  1.3000  1.8000  1.0800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2608]
_cell_length_b [10.8508]
_cell_length_c [6.2404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5312]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2PuTh3N6]
_chemical_formula_sum '[Ce4 Pu2 Th6 N12]'
_cell_volume [399.5475]
_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
[
  Ce  Ce0  4  0.0000  0.3334  0.0000  1
  Pu  Pu1  2  0.0000  0.0000  0.0000  1
  Th  Th2  4  0.0000  0.1668  0.5000  1
  Th  Th3  2  0.0000  0.5000  0.5000  1
  N  N4  8  0.2475  0.1655  0.2464  1
  N  N5  4  0.2478  0.0000  0.7512  1
]