data_[Hf20Au4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  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 [10.1169]
_cell_length_b [5.9481]
_cell_length_c [9.4700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7152]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf5AuN]
_chemical_formula_sum '[Hf20 Au4 N4]'
_cell_volume [533.0281]
_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  0.1166  0.3133  0.0310  1
  Hf  Hf1  8  0.2047  0.1724  0.6291  1
  Hf  Hf2  4  0.0000  0.0371  0.2500  1
  Au  Au3  4  0.0000  0.4890  0.7500  1
  N  N4  4  0.0000  0.0000  0.0000  1
]