data_[Ce8Nb4Ru4N20]
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
  Ru  2.2000  1.3000  0.6610
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.2532]
_cell_length_b [13.1459]
_cell_length_c [10.4914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2NbRuN5]
_chemical_formula_sum '[Ce8 Nb4 Ru4 N20]'
_cell_volume [448.6773]
_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  0.1058  0.6816  1.0
  Ce  Ce1  4  0.0000  0.1446  0.3047  1.0
  Nb  Nb2  4  0.0000  0.2005  0.0096  1.0
  Ru  Ru3  4  0.0000  0.4690  0.4564  1.0
  N  N4  4  0.0000  0.0528  0.0767  1.0
  N  N5  4  0.0000  0.2793  0.6512  1.0
  N  N6  4  0.0000  0.3189  0.3709  1.0
  N  N7  4  0.0000  0.3657  0.9951  1.0
  N  N8  4  0.0000  0.4882  0.7779  1.0
]