data_[Cs1H1Au1Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.6646]
_cell_length_b [6.7282]
_cell_length_c [7.7084]
_cell_angle_alpha [87.4250]
_cell_angle_beta [70.7516]
_cell_angle_gamma [89.9068]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsHAuCl6]
_chemical_formula_sum '[Cs1 H1 Au1 Cl6]'
_cell_volume [325.9722]
_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  0.7115  0.0246  0.1533  1.0
  H  H1  1  0.1877  0.4437  0.2257  1.0
  Au  Au2  1  0.7470  0.5039  0.6352  1.0
  Cl  Cl3  1  0.1743  0.2491  0.2603  1.0
  Cl  Cl4  1  0.1965  0.7465  0.1791  1.0
  Cl  Cl5  1  0.5628  0.2120  0.7471  1.0
  Cl  Cl6  1  0.6210  0.5109  0.3878  1.0
  Cl  Cl7  1  0.8595  0.5117  0.8899  1.0
  Cl  Cl8  1  0.9399  0.7974  0.5213  1.0
]