data_[Sc8Nb16Ni12N12]
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
  Ni  1.9100  1.3500  0.7400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2873]
_cell_length_b [5.3620]
_cell_length_c [13.5038]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4026]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc2Nb4(NiN)3]
_chemical_formula_sum '[Sc8 Nb16 Ni12 N12]'
_cell_volume [654.1502]
_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  0.0421  0.4186  0.8835  1
  Nb  Nb1  8  0.1124  0.0875  0.0884  1
  Nb  Nb2  8  0.2226  0.0833  0.4115  1
  Ni  Ni3  8  0.2428  0.3449  0.2507  1
  Ni  Ni4  4  0.0000  0.0806  0.2500  1
  N  N5  8  0.0790  0.2627  0.5001  1
  N  N6  4  0.2500  0.2500  0.0000  1
]