data_[Ce4Th8N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [6.3012]
_cell_length_b [10.9119]
_cell_length_c [6.2910]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5493]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeTh2N3]
_chemical_formula_sum '[Ce4 Th8 N12]'
_cell_volume [407.6190]
_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
[
  Ce  Ce0  4  0.0000  0.3337  0.0000  1
  Th  Th1  4  0.0000  0.1677  0.5000  1
  Th  Th2  2  0.0000  0.0000  0.0000  1
  Th  Th3  2  0.0000  0.5000  0.5000  1
  N  N4  8  0.2497  0.1668  0.2489  1
  N  N5  4  0.2494  0.5000  0.2486  1
]