data_[B4Au4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  Au  2.5400  1.3500  1.0700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [17.0168]
_cell_length_b [2.5867]
_cell_length_c [3.9419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3821]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BAuN]
_chemical_formula_sum '[B4 Au4 N4]'
_cell_volume [173.4600]
_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
[
  B  B0  2  0.1128  0.5000  0.3912  1
  B  B1  2  0.2340  0.0000  0.2213  1
  Au  Au2  2  0.3845  0.5000  0.9781  1
  Au  Au3  2  0.4950  0.0000  0.5631  1
  N  N4  2  0.1496  0.0000  0.3418  1
  N  N5  2  0.2685  0.5000  0.1697  1
]