data_[Ba2H12Au4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  H  2.2000  0.2500  0.0000
  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 [11.7438]
_cell_length_b [4.9131]
_cell_length_c [6.3438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2681]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaH6(AuN)2]
_chemical_formula_sum '[Ba2 H12 Au4 N4]'
_cell_volume [353.1071]
_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  2  0.0000  0.0000  0.5000  1.0
  H  H1  8  0.1248  0.1694  0.0483  1.0
  H  H2  4  0.2131  0.0000  0.9321  1.0
  Au  Au3  4  0.1854  0.5000  0.4316  1.0
  N  N4  4  0.1299  0.0000  0.9560  1.0
]