data_[Nb16Cr8Au12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
  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 [9.4051]
_cell_length_b [5.4102]
_cell_length_c [13.6058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0759]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nb4Cr2(AuN)3]
_chemical_formula_sum '[Nb16 Cr8 Au12 N12]'
_cell_volume [674.3612]
_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
[
  Nb  Nb0  8  0.1126  0.0864  0.5874  1
  Nb  Nb1  8  0.2225  0.0807  0.9126  1
  Cr  Cr2  8  0.0583  0.4191  0.4319  1
  Au  Au3  8  0.1518  0.4321  0.7511  1
  Au  Au4  4  0.0000  0.1126  0.2500  1
  N  N5  8  0.0814  0.2561  1.0000  1
  N  N6  4  0.2500  0.2500  0.5000  1
]