data_[Ce8Hf4Nb4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Hf  1.3000  1.5500  0.8500
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.4019]
_cell_length_b [13.5821]
_cell_length_c [10.5319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2HfNbN5]
_chemical_formula_sum '[Ce8 Hf4 Nb4 N20]'
_cell_volume [486.6306]
_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  0.1112  0.6926  1.0
  Ce  Ce1  4  0.0000  0.1445  0.2881  1.0
  Hf  Hf2  4  0.0000  0.2180  0.0069  1.0
  Nb  Nb3  4  0.0000  0.4762  0.4649  1.0
  N  N4  4  0.0000  0.0548  0.0571  1.0
  N  N5  4  0.0000  0.2784  0.6530  1.0
  N  N6  4  0.0000  0.3158  0.3786  1.0
  N  N7  4  0.0000  0.3736  0.0022  1.0
  N  N8  4  0.0000  0.4919  0.7805  1.0
]