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 [5.2454]
_cell_length_b [5.9494]
_cell_length_c [7.1444]
_cell_angle_alpha [71.2515]
_cell_angle_beta [77.9522]
_cell_angle_gamma [74.2958]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsH6(AuN)2]
_chemical_formula_sum '[Cs1 H6 Au2 N2]'
_cell_volume [201.4217]
_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  1.0
  H  H1  2  0.0035  0.0134  0.2783  1.0
  H  H2  2  0.0376  0.1922  0.8114  1.0
  H  H3  2  0.2784  0.9588  0.7907  1.0
  Au  Au4  2  0.2518  0.4732  0.0213  1.0
  N  N5  2  0.1309  0.0869  0.7157  1.0
]