data_[Ce8Nb4Si4N20]
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
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.1814]
_cell_length_b [14.0044]
_cell_length_c [10.1079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2NbSiN5]
_chemical_formula_sum '[Ce8 Nb4 Si4 N20]'
_cell_volume [450.3513]
_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  0.1132  0.6871  1.0
  Ce  Ce1  4  0.0000  0.1341  0.3137  1.0
  Nb  Nb2  4  0.0000  0.2106  0.0224  1.0
  Si  Si3  4  0.0000  0.4521  0.4404  1.0
  N  N4  4  0.0000  0.0364  0.0209  1.0
  N  N5  4  0.0000  0.2937  0.6625  1.0
  N  N6  4  0.0000  0.3281  0.3817  1.0
  N  N7  4  0.0000  0.3488  0.0077  1.0
  N  N8  4  0.0000  0.4927  0.7875  1.0
]