data_[Sc16Nb8Cd12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Nb  1.6000  1.4500  0.8200
  Cd  1.6900  1.5500  1.0900
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6429]
_cell_length_b [5.5919]
_cell_length_c [15.0503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4914]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc4Nb2(CdN)3]
_chemical_formula_sum '[Sc16 Nb8 Cd12 N12]'
_cell_volume [792.3358]
_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
[
  Sc  Sc0  8  0.1113  0.0809  0.0837  1
  Sc  Sc1  8  0.2208  0.0854  0.4162  1
  Nb  Nb2  8  0.0583  0.4172  0.9278  1
  Cd  Cd3  8  0.1537  0.4295  0.2495  1
  Cd  Cd4  4  0.0000  0.1091  0.7500  1
  N  N5  8  0.0852  0.2439  0.4999  1
  N  N6  4  0.2500  0.2500  0.0000  1
]