data_[Cs1Ag1Au1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.4736]
_cell_length_b [6.8403]
_cell_length_c [8.3605]
_cell_angle_alpha [92.9948]
_cell_angle_beta [101.5824]
_cell_angle_gamma [108.0082]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsAgAuCl6]
_chemical_formula_sum '[Cs1 Ag1 Au1 Cl6]'
_cell_volume [342.3018]
_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  0.9846  0.0174  0.0174  1.0
  Ag  Ag1  1  0.6825  0.4592  0.3573  1.0
  Au  Au2  1  0.3406  0.5302  0.6433  1.0
  Cl  Cl3  1  0.0245  0.6667  0.3003  1.0
  Cl  Cl4  1  0.3360  0.2622  0.4525  1.0
  Cl  Cl5  1  0.3730  0.7909  0.8430  1.0
  Cl  Cl6  1  0.5784  0.2149  0.1137  1.0
  Cl  Cl7  1  0.6813  0.7252  0.5886  1.0
  Cl  Cl8  1  0.9989  0.3331  0.6838  1.0
]