data_[Ce18U6N36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  U  1.3800  1.7500  0.9913
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.8402]
_cell_length_b [9.8402]
_cell_length_c [11.6203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ce3UN6]
_chemical_formula_sum '[Ce18 U6 N36]'
_cell_volume [974.4314]
_cell_formula_units_Z [6]
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  18  0.0360  0.2659  0.7134  1
  U  U1  3  0.0000  0.0000  0.0000  1
  U  U2  3  0.0000  0.0000  0.5000  1
  N  N3  18  0.0272  0.1808  0.3781  1
  N  N4  18  0.0370  0.2116  0.9097  1
]