data_[Ce8Fe4Mo4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Fe  1.8300  1.4000  0.8525
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.2384]
_cell_length_b [13.4579]
_cell_length_c [10.0058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2FeMoN5]
_chemical_formula_sum '[Ce8 Fe4 Mo4 N20]'
_cell_volume [436.0795]
_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  0.1185  0.6899  1
  Ce  Ce1  4  0.0000  0.1353  0.3219  1
  Fe  Fe2  4  0.0000  0.4480  0.4455  1
  Mo  Mo3  4  0.0000  0.1967  0.0206  1
  N  N4  4  0.0000  0.0332  0.0232  1
  N  N5  4  0.0000  0.2976  0.6617  1
  N  N6  4  0.0000  0.3180  0.3728  1
  N  N7  4  0.0000  0.3437  0.0102  1
  N  N8  4  0.0000  0.4971  0.7780  1
]