data_[Au8C16N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Au  2.5400  1.3500  1.0700
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.9117]
_cell_length_b [12.6128]
_cell_length_c [6.7477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3979]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AuC2N3]
_chemical_formula_sum '[Au8 C16 N24]'
_cell_volume [1093.9988]
_cell_formula_units_Z [8]
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  4  0.0000  0.1341  0.7500  1
  Au  Au1  4  0.0000  0.3826  0.7500  1
  C  C2  8  0.1198  0.3159  0.4031  1
  C  C3  8  0.1201  0.2016  0.1388  1
  N  N4  8  0.0854  0.3728  0.5197  1
  N  N5  8  0.0862  0.1443  0.0101  1
  N  N6  8  0.1652  0.2592  0.2787  1
]