data_[Ba18Ag3Au6N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.9970]
_cell_length_b [7.9970]
_cell_length_c [22.2408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ba6AgAu2N]
_chemical_formula_sum '[Ba18 Ag3 Au6 N3]'
_cell_volume [1231.7919]
_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
[
  Ba  Ba0  9  0.0111  0.2964  0.7446  1.0
  Ba  Ba1  9  0.0493  0.6736  0.2597  1.0
  Ag  Ag2  3  0.0000  0.0000  0.1697  1.0
  Au  Au3  3  0.0000  0.0000  0.4829  1.0
  Au  Au4  3  0.0000  0.0000  0.9986  1.0
  N  N5  3  0.0000  0.0000  0.6733  1.0
]