data_[Hf16Mo8Au12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Mo  2.1600  1.4500  0.7750
  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 [9.7253]
_cell_length_b [5.6510]
_cell_length_c [13.7210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3515]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4Mo2(AuN)3]
_chemical_formula_sum '[Hf16 Mo8 Au12 N12]'
_cell_volume [733.6896]
_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
[
  Hf  Hf0  8  0.1133  0.0883  0.5951  1
  Hf  Hf1  8  0.2224  0.0825  0.9053  1
  Mo  Mo2  8  0.0547  0.4223  0.4304  1
  Au  Au3  8  0.1490  0.4333  0.7518  1
  Au  Au4  4  0.0000  0.1214  0.2500  1
  N  N5  8  0.0907  0.2275  0.0000  1
  N  N6  4  0.2500  0.2500  0.5000  1
]