data_[H24Au4I4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6090]
_cell_length_b [12.3318]
_cell_length_c [5.9521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.0483]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [H6AuIN2]
_chemical_formula_sum '[H24 Au4 I4 N8]'
_cell_volume [591.1967]
_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
[
  H  H0  8  0.1847  0.1254  0.0511  1.0
  H  H1  8  0.1950  0.0102  0.9193  1.0
  H  H2  8  0.2145  0.1266  0.7998  1.0
  Au  Au3  4  0.0000  0.4158  0.7500  1.0
  I  I4  4  0.0000  0.1724  0.2500  1.0
  N  N5  8  0.2461  0.0870  0.9746  1.0
]