data_[Ba6Na1Au1N1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Au  2.5400  1.3500  1.0700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [8.1118]
_cell_length_b [8.1118]
_cell_length_c [7.7454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [Ba6NaAuN]
_chemical_formula_sum '[Ba6 Na1 Au1 N1]'
_cell_volume [441.3780]
_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
[
  Ba  Ba0  6  0.0624  0.3733  0.7148  1
  Na  Na1  1  0.6667  0.3333  0.0000  1
  Au  Au2  1  0.0000  0.0000  0.5000  1
  N  N3  1  0.3333  0.6667  0.5000  1
]