data_[Sc16Nb8Zn12N12]
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
  Zn  1.6500  1.3500  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5640]
_cell_length_b [5.5442]
_cell_length_c [14.2397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2239]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc4Nb2(ZnN)3]
_chemical_formula_sum '[Sc16 Nb8 Zn12 N12]'
_cell_volume [735.0388]
_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  0.1138  0.0796  0.5921  1
  Sc  Sc1  8  0.2174  0.0865  0.9078  1
  Nb  Nb2  8  0.0578  0.4160  0.4237  1
  Zn  Zn3  8  0.1390  0.4441  0.7495  1
  Zn  Zn4  4  0.0000  0.1394  0.2500  1
  N  N5  8  0.0857  0.7575  0.4998  1
  N  N6  4  0.2500  0.2500  0.5000  1
]