data_[Ce8Sm4Nb4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  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 [3.5341]
_cell_length_b [14.3176]
_cell_length_c [10.4149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2SmNbN5]
_chemical_formula_sum '[Ce8 Sm4 Nb4 N20]'
_cell_volume [526.9854]
_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  0.1085  0.6894  1
  Ce  Ce1  4  0.0000  0.1346  0.2736  1
  Sm  Sm2  4  0.0000  0.2205  0.9910  1
  Nb  Nb3  4  0.0000  0.4757  0.4652  1
  N  N4  4  0.0000  0.0519  0.0539  1
  N  N5  4  0.0000  0.2812  0.6768  1
  N  N6  4  0.0000  0.3385  0.3670  1
  N  N7  4  0.0000  0.3853  0.0241  1
  N  N8  4  0.0000  0.4824  0.7830  1
]