data_[Cs1H6Au2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P-1]
_cell_length_a [5.2318]
_cell_length_b [5.9592]
_cell_length_c [7.1705]
_cell_angle_alpha [71.1759]
_cell_angle_beta [77.7928]
_cell_angle_gamma [74.1525]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsH6(AuN)2]
_chemical_formula_sum '[Cs1 H6 Au2 N2]'
_cell_volume [201.6828]
_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
[
  Cs  Cs0  1  0.5000  0.5000  0.5000  1
  H  H1  2  0.0038  0.0134  0.2783  1
  H  H2  2  0.0373  0.1922  0.8115  1
  H  H3  2  0.2791  0.9584  0.7908  1
  Au  Au4  2  0.2522  0.4741  0.0205  1
  N  N5  2  0.1307  0.0868  0.7161  1
]