data_[Ce8Y4Nb4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Y  1.2200  1.8000  1.0400
  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 [3.5408]
_cell_length_b [13.7866]
_cell_length_c [11.3715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2YNbN5]
_chemical_formula_sum '[Ce8 Y4 Nb4 N20]'
_cell_volume [555.1059]
_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  0.1301  0.7187  1.0
  Ce  Ce1  4  0.0000  0.1379  0.2389  1.0
  Y  Y2  4  0.0000  0.2410  0.9861  1.0
  Nb  Nb3  4  0.0000  0.4926  0.4807  1.0
  N  N4  4  0.0000  0.0682  0.0247  1.0
  N  N5  4  0.0000  0.2785  0.6387  1.0
  N  N6  4  0.0000  0.2808  0.3439  1.0
  N  N7  4  0.0000  0.3924  0.0751  1.0
  N  N8  4  0.0000  0.4675  0.8171  1.0
]