data_[Zr16Nb8Au12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Nb  1.6000  1.4500  0.8200
  Au  2.5400  1.3500  1.0700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8508]
_cell_length_b [5.7199]
_cell_length_c [14.1022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5052]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr4Nb2(AuN)3]
_chemical_formula_sum '[Zr16 Nb8 Au12 N12]'
_cell_volume [772.6262]
_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
[
  Zr  Zr0  8  0.1152  0.0806  0.0955  1
  Zr  Zr1  8  0.2169  0.0858  0.4044  1
  Nb  Nb2  8  0.0588  0.5833  0.4269  1
  Au  Au3  8  0.1482  0.4338  0.2500  1
  Au  Au4  4  0.0000  0.1215  0.7500  1
  N  N5  8  0.0867  0.7609  1.0000  1
  N  N6  4  0.2500  0.2500  0.0000  1
]