data_[Hf16W8Au12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  W  2.3600  1.3500  0.7667
  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 [9.7163]
_cell_length_b [5.6495]
_cell_length_c [13.7139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3692]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4W2(AuN)3]
_chemical_formula_sum '[Hf16 W8 Au12 N12]'
_cell_volume [732.3876]
_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  0.1134  0.0863  0.5959  1
  Hf  Hf1  8  0.2210  0.0840  0.9046  1
  W  W2  8  0.0567  0.4202  0.4296  1
  Au  Au3  8  0.1488  0.4342  0.7512  1
  Au  Au4  4  0.0000  0.1217  0.2500  1
  N  N5  8  0.0894  0.2311  1.0000  1
  N  N6  4  0.2500  0.2500  0.5000  1
]