data_[Ba14Au4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Au  2.5400  1.3500  1.0700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8949]
_cell_length_b [13.5578]
_cell_length_c [7.6706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2291]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba7(AuN)2]
_chemical_formula_sum '[Ba14 Au4 N4]'
_cell_volume [1009.3339]
_cell_formula_units_Z [2]
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  8  0.2342  0.1578  0.7205  1.0
  Ba  Ba1  4  0.0962  0.5000  0.7934  1.0
  Ba  Ba2  2  0.0000  0.0000  0.0000  1.0
  Au  Au3  4  0.0000  0.3173  0.5000  1.0
  N  N4  4  0.2490  0.0000  0.9002  1.0
]