data_[Ce8Fe4P4N20]
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
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.1459]
_cell_length_b [13.6025]
_cell_length_c [9.8790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2FePN5]
_chemical_formula_sum '[Ce8 Fe4 P4 N20]'
_cell_volume [422.7404]
_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  0.1218  0.6692  1
  Ce  Ce1  4  0.0000  0.1425  0.3082  1
  Fe  Fe2  4  0.0000  0.2140  0.0353  1
  P  P3  4  0.0000  0.4332  0.4362  1
  N  N4  4  0.0000  0.0575  0.0268  1
  N  N5  4  0.0000  0.2909  0.6547  1
  N  N6  4  0.0000  0.3156  0.3939  1
  N  N7  4  0.0000  0.3544  0.0017  1
  N  N8  4  0.0000  0.4968  0.2980  1
]