data_[Ce6Pa2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pa  1.5000  1.8000  1.0400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P6_322]
_cell_length_a [5.9298]
_cell_length_b [5.9298]
_cell_length_c [10.9574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [182]
_chemical_formula_structural [Ce3PaN6]
_chemical_formula_sum '[Ce6 Pa2 N12]'
_cell_volume [333.6694]
_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  0.3333  0.6667  0.5628  1
  Ce  Ce1  2  0.0000  0.0000  0.0000  1
  Pa  Pa2  2  0.3333  0.6667  0.2500  1
  N  N3  12  0.0502  0.3664  0.1161  1
]