data_[Ni18Au6S3N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4725]
_cell_length_b [5.4725]
_cell_length_c [14.4893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ni6Au2SN]
_chemical_formula_sum '[Ni18 Au6 S3 N3]'
_cell_volume [375.7882]
_cell_formula_units_Z [3]
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
[
  Ni  Ni0  18  0.0011  0.5005  0.7373  1.0
  Au  Au1  6  0.0000  0.0000  0.2384  1.0
  S  S2  3  -0.0000  -0.0000  0.5000  1.0
  N  N3  3  0.0000  0.0000  0.0000  1.0
]