data_[Cs6H2Au2Cl2]
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 [P2_1/m]
_cell_length_a [9.3045]
_cell_length_b [5.3527]
_cell_length_c [11.1010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2061]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cs3HAuCl]
_chemical_formula_sum '[Cs6 H2 Au2 Cl2]'
_cell_volume [525.1985]
_cell_formula_units_Z [2]
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  2  0.0800  0.2500  0.8658  1.0
  Cs  Cs1  2  0.1888  0.7500  0.5281  1.0
  Cs  Cs2  2  0.4910  0.7500  0.1963  1.0
  H  H3  2  0.1492  0.2500  0.6258  1.0
  Au  Au4  2  0.2318  0.2500  0.2550  1.0
  Cl  Cl5  2  0.3149  0.7500  0.8790  1.0
]