data_[Au11N9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Au  2.5400  1.3500  1.0700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P6]
_cell_length_a [9.2648]
_cell_length_b [9.2648]
_cell_length_c [18.2029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [168]
_chemical_formula_structural [Au11N9]
_chemical_formula_sum '[Au11 N9]'
_cell_volume [1353.1425]
_cell_formula_units_Z [1]
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
[
  Au  Au0  6  0.1680  0.8315  0.4281  1
  Au  Au1  3  0.0000  0.5000  0.4048  1
  Au  Au2  2  0.3333  0.6667  0.4954  1
  N  N3  6  0.1245  0.4926  0.5808  1
  N  N4  3  0.0000  0.5000  0.5805  1
]