data_[Ce8Mn4Nb4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mn  1.5500  1.4000  0.6483
  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 [3.2721]
_cell_length_b [13.6083]
_cell_length_c [10.0857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2MnNbN5]
_chemical_formula_sum '[Ce8 Mn4 Nb4 N20]'
_cell_volume [449.0970]
_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  0.1186  0.6902  1.0
  Ce  Ce1  4  0.0000  0.1380  0.3248  1.0
  Mn  Mn2  4  0.0000  0.4539  0.4457  1.0
  Nb  Nb3  4  0.0000  0.1975  0.0194  1.0
  N  N4  4  0.0000  0.0262  0.0201  1.0
  N  N5  4  0.0000  0.2995  0.6636  1.0
  N  N6  4  0.0000  0.3211  0.3716  1.0
  N  N7  4  0.0000  0.3436  0.0068  1.0
  N  N8  4  0.0000  0.4977  0.7817  1.0
]