data_[Cs12Au4S2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.8571]
_cell_length_b [9.4374]
_cell_length_c [15.3007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9512]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs6Au2SCl]
_chemical_formula_sum '[Cs12 Au4 S2 Cl2]'
_cell_volume [1073.2096]
_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  4  0.1120  0.5549  0.2455  1.0
  Cs  Cs1  4  0.2558  0.2011  0.0728  1.0
  Cs  Cs2  4  0.3664  0.6842  0.0621  1.0
  Au  Au3  4  0.2941  0.5826  0.7598  1.0
  S  S4  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl5  2  0.5000  0.0000  0.0000  1.0
]