data_[Ce8Nb4Ir4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Nb  1.6000  1.4500  0.8200
  Ir  2.2000  1.3500  0.7650
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.2699]
_cell_length_b [13.0903]
_cell_length_c [10.5510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2NbIrN5]
_chemical_formula_sum '[Ce8 Nb4 Ir4 N20]'
_cell_volume [451.6253]
_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  0.1034  0.6874  1.0
  Ce  Ce1  4  0.0000  0.1464  0.3030  1.0
  Nb  Nb2  4  0.0000  0.2063  0.0129  1.0
  Ir  Ir3  4  0.0000  0.4736  0.4550  1.0
  N  N4  4  0.0000  0.0547  0.0760  1.0
  N  N5  4  0.0000  0.2775  0.6500  1.0
  N  N6  4  0.0000  0.3212  0.3728  1.0
  N  N7  4  0.0000  0.3659  0.9936  1.0
  N  N8  4  0.0000  0.4856  0.7733  1.0
]